2-[2,3-Di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.01563
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/p+1/t18-/m0/s1
	Note 1	Processed by Tevin Li

Sample description:

Compound	Type	Concentration
2-[2,3-di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium	solute	100mM
Chloroform-d	solvent	100.0%
TMS	reference	0.05%

Show/Hide Spin System Matrix

Spin System Matrix

	31	32	33	34	35	36	37	38	39	40	41	42	43	44	45	46	47	48	49	50	51	52	53	54	55	56	57	58	59	60	61	62	63	64	65	66	67	68	69	70
31	0.893	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6.626	6.626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
32	0	0.893	-12.4	0	0	0	0	0	0	0	0	0	0	0	0	6.626	6.626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
33	0	0	0.893	0	0	0	0	0	0	0	0	0	0	0	0	6.626	6.626	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
34	0	0	0	0.893	0	0	0	0	0	0	0	0	0	0	0	0	0	6.771	6.771	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
35	0	0	0	0	0.893	-12.4	0	0	0	0	0	0	0	0	0	0	0	6.771	6.771	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
36	0	0	0	0	0	0.893	0	0	0	0	0	0	0	0	0	0	0	6.771	6.771	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
37	0	0	0	0	0	0	3.344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
38	0	0	0	0	0	0	0	3.344	-12.4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
39	0	0	0	0	0	0	0	0	3.344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
40	0	0	0	0	0	0	0	0	0	3.344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
41	0	0	0	0	0	0	0	0	0	0	3.344	-12.4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
42	0	0	0	0	0	0	0	0	0	0	0	3.344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
43	0	0	0	0	0	0	0	0	0	0	0	0	3.344	-12.4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
44	0	0	0	0	0	0	0	0	0	0	0	0	0	3.344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
45	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.344	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
46	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.288	-12.532	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
47	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.31	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
48	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.294	-11.856	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
49	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.304	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
50	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.281	-11.596	0	0	3.388	8.631	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
51	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.313	0	0	4.456	3.363	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
52	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.288	-15.826	0	0	1.965	8.882	0	0	0	0	0	0	0	0	0	0	0	0	0
53	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.31	0	0	8.776	1.964	0	0	0	0	0	0	0	0	0	0	0	0	0
54	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.582	-10.136	0	0	8.614	6.345	0	0	0	0	0	0	0	0	0	0	0
55	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.602	0	0	7.362	8.605	0	0	0	0	0	0	0	0	0	0	0
56	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.601	-14.573	0	0	-0.031	10.089	0	0	0	0	0	0	0	0	0
57	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	1.579	0	0	10.376	-0.031	0	0	0	0	0	0	0	0	0
58	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.271	-17.259	0	0	0	0	0	0	0	0	0	0	0
59	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.313	0	0	0	0	0	0	0	0	0	0	0
60	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.297	-13.581	0	0	0	0	0	0	0	0	0
61	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	2.287	0	0	0	0	0	0	0	0	0
62	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.288	-12.983	7.438	10.632	0	0	0	0	0
63	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.276	3.553	7.438	0	0	0	0	0
64	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.281	-12.627	0	0	0	0	0
65	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.285	0	0	0	0	0
66	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.767	1.642	0	0	1.441
67	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	3.767	0	0	9.072
68	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.389	-12.162	3.81
69	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	4.126	7.354
70	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	5.191

Spectra

Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale

PPM	Amplitude	Peak Type
0.879374	0.119316	standard
0.892695	0.247023	standard
0.906	0.132136	standard
1.23918	0.00291325	standard
1.24609	0.0079556	standard
1.25202	0.010209	standard
1.25533	0.01151	standard
1.26066	0.0182793	standard
1.27037	0.039188	standard
1.27869	0.0634421	standard
1.28497	0.105935	standard
1.29237	0.134968	standard
1.29913	0.160481	standard
1.30576	0.145938	standard
1.31262	0.113769	standard
1.31977	0.057414	standard
1.3333	0.0199022	standard
1.33673	0.018563	standard
1.34151	0.0089025	standard
1.35073	0.00541128	standard
1.3581	0.00277337	standard
1.50619	0.000779125	standard
1.51769	0.00115413	standard
1.52548	0.001443	standard
1.537	0.00283704	standard
1.54387	0.00510604	standard
1.55217	0.00785012	standard
1.56579	0.0304414	standard
1.5694	0.0390511	standard
1.57246	0.0562632	standard
1.58042	0.0688283	standard
1.58604	0.0926331	standard
1.59309	0.0866586	standard
1.60006	0.0755772	standard
1.60779	0.0609646	standard
1.6151	0.0301261	standard
1.62052	0.0148711	standard
1.62319	0.0178877	standard
1.63559	0.00641916	standard
1.6435	0.00478813	standard
1.65477	0.00141425	standard
1.663	0.00112425	standard
2.2317	0.0100314	standard
2.24728	0.015713	standard
2.26619	0.0468693	standard
2.28196	0.154354	standard
2.28642	0.111239	standard
2.29773	0.111621	standard
2.30115	0.138955	standard
2.31691	0.04387	standard
2.33539	0.0132326	standard
2.33712	0.013408	standard
2.35138	0.00930397	standard
3.34406	1.0	standard
3.75976	0.0568351	standard
3.76687	0.0742041	standard
3.7738	0.0564381	standard
4.10616	0.0222274	standard
4.121	0.0246645	standard
4.13044	0.0283815	standard
4.14515	0.0265179	standard
4.28242	0.132599	standard
4.37343	0.0299516	standard
4.38067	0.0303443	standard
4.39768	0.0256599	standard
4.40493	0.0249107	standard
5.17122	0.0129769	standard
5.1792	0.016933	standard
5.19116	0.0249877	standard
5.20312	0.016932	standard
5.21111	0.0129754	standard
0.502322	0.00661512	standard
0.62561	0.0312111	standard
0.723408	0.0902391	standard
0.76333	0.075564	standard
0.89143	0.353036	standard
1.01214	0.312343	standard
1.14465	0.194846	standard
1.22678	0.239743	standard
1.38424	0.300387	standard
1.44548	0.204359	standard
1.56123	0.133564	standard
1.77885	0.0920453	standard
1.86093	0.063825	standard
2.1503	0.147971	standard
2.18968	0.145504	standard
2.29695	0.13891	standard
2.34015	0.120241	standard
2.51928	0.0344091	standard
2.76982	0.00723912	standard
3.34407	1.0	standard
3.66825	0.0637321	standard
3.79273	0.0943221	standard
4.28182	0.225451	standard
4.95876	0.0226711	standard
5.06688	0.0239621	standard
5.1976	0.0264921	standard
5.45489	0.0105121	standard
0.736302	0.0464642	standard
0.776506	0.093236	standard
0.79745	0.08453	standard
0.831223	0.0819773	standard
0.890225	0.324778	standard
0.981312	0.245347	standard
1.25872	0.219152	standard
1.29664	0.212513	standard
1.36269	0.249817	standard
1.50564	0.122989	standard
1.57591	0.116552	standard
1.63116	0.0868391	standard
1.7001	0.0709641	standard
1.71914	0.0712971	standard
1.78326	0.03692	standard
1.84659	0.0157051	standard
1.97226	0.00871712	standard
2.00589	0.00770513	standard
2.07333	0.0137721	standard
2.18142	0.119556	standard
2.2234	0.122296	standard
2.29693	0.16078	standard
2.37906	0.099805	standard
2.74205	0.00319912	standard
3.34406	1.0	standard
3.70435	0.0570641	standard
3.77745	0.0816881	standard
3.82001	0.0694121	standard
3.92227	0.0243031	standard
4.13423	0.0623211	standard
4.28182	0.196143	standard
4.48207	0.0285811	standard
4.55041	0.0208251	standard
5.03266	0.0176101	standard
5.10377	0.0205671	standard
5.19374	0.0254891	standard
5.36404	0.0108251	standard
0.805534	0.108561	standard
0.890262	0.322165	standard
0.964093	0.227649	standard
1.27184	0.223102	standard
1.29775	0.217605	standard
1.34791	0.22363	standard
1.4407	0.0894891	standard
1.45597	0.084768	standard
1.52583	0.102262	standard
1.58132	0.112046	standard
1.61539	0.0906372	standard
1.66925	0.0731242	standard
1.69003	0.06749	standard
1.73838	0.0321871	standard
1.83182	0.00362313	standard
1.87853	0.00507313	standard
1.93789	0.005958	standard
1.96086	0.00624813	standard
1.98992	0.00437913	standard
2.01848	0.00463713	standard
2.20534	0.12448	standard
2.23867	0.136877	standard
2.29506	0.169489	standard
2.35836	0.103221	standard
2.39971	0.051622	standard
2.61598	0.00206013	standard
2.6383	0.00208813	standard
3.34406	1.0	standard
3.72062	0.0557431	standard
3.77289	0.0783211	standard
3.80766	0.064458	standard
3.98366	0.0189401	standard
4.0767	0.0260331	standard
4.13631	0.0507191	standard
4.29124	0.163915	standard
4.45743	0.026925	standard
4.50588	0.0216371	standard
5.07074	0.0158871	standard
5.12282	0.0191571	standard
5.19245	0.0250531	standard
5.26584	0.0162781	standard
5.3198	0.0110791	standard
0.815343	0.115493	standard
0.890305	0.326597	standard
0.957665	0.223861	standard
1.08762	0.0101851	standard
1.27575	0.223699	standard
1.29819	0.220044	standard
1.34307	0.213809	standard
1.41771	0.0620613	standard
1.45594	0.064682	standard
1.50328	0.058743	standard
1.53475	0.0907545	standard
1.58608	0.107253	standard
1.62862	0.076526	standard
1.65945	0.0748151	standard
1.67933	0.065352	standard
1.80394	0.00337013	standard
1.84798	0.00399013	standard
1.92446	0.00382913	standard
1.97643	0.00484912	standard
2.02305	0.00345913	standard
2.10795	0.00429613	standard
2.21377	0.128429	standard
2.24304	0.132232	standard
2.2986	0.17197	standard
2.35006	0.0958845	standard
2.37255	0.0681861	standard
2.48744	0.00356812	standard
2.57918	0.00195012	standard
2.60339	0.00187712	standard
3.34406	1.0	standard
3.72598	0.0554351	standard
3.7717	0.0775041	standard
3.80344	0.0630861	standard
4.00132	0.0185961	standard
4.08354	0.0253791	standard
4.13671	0.0469113	standard
4.22379	0.0882371	standard
4.28539	0.1545	standard
4.44895	0.0264291	standard
4.4914	0.0220221	standard
5.08374	0.0153981	standard
5.12976	0.0186871	standard
5.19225	0.0250111	standard
5.25811	0.0162251	standard
5.30502	0.0112121	standard
0.823222	0.122187	standard
0.890332	0.332636	standard
0.952219	0.221407	standard
1.07988	0.00786313	standard
1.10934	0.00879013	standard
1.27717	0.223522	standard
1.29933	0.224592	standard
1.34047	0.216124	standard
1.40611	0.0583401	standard
1.46851	0.0489303	standard
1.51303	0.0558401	standard
1.54383	0.095605	standard
1.5893	0.107757	standard
1.62342	0.0804291	standard
1.65277	0.0758353	standard
1.67034	0.0637948	standard
1.82279	0.00375212	standard
1.8946	0.00275713	standard
1.92991	0.00236913	standard
1.95054	0.00213712	standard
1.99071	0.00267113	standard
2.01015	0.00351412	standard
2.04854	0.00313912	standard
2.12045	0.00430312	standard
2.22072	0.128581	standard
2.24671	0.127789	standard
2.2972	0.173114	standard
2.34302	0.0938439	standard
2.36617	0.069225	standard
2.46929	0.00363212	standard
2.55062	0.00200312	standard
2.57819	0.00171212	standard
3.34406	1.0	standard
3.73029	0.055268	standard
3.77081	0.0768331	standard
3.79997	0.0621461	standard
4.0152	0.0185321	standard
4.089	0.0249121	standard
4.13676	0.043929	standard
4.21189	0.0725521	standard
4.2837	0.149847	standard
4.35551	0.0727792	standard
4.4421	0.0260471	standard
4.47999	0.0223123	standard
5.09415	0.0150421	standard
5.13522	0.0184161	standard
5.19205	0.0249411	standard
5.25146	0.0161831	standard
5.29332	0.0113161	standard
0.858307	0.168354	standard
0.891582	0.390353	standard
0.92475	0.220904	standard
1.18691	0.00624225	standard
1.2	0.00738125	standard
1.26827	0.147542	standard
1.28705	0.216766	standard
1.2995	0.221518	standard
1.32126	0.21104	standard
1.35775	0.058877	standard
1.39128	0.008608	standard
1.42138	0.00418712	standard
1.42902	0.00407313	standard
1.4559	0.00372612	standard
1.46592	0.00333212	standard
1.48982	0.00410213	standard
1.52939	0.0347434	standard
1.54224	0.045298	standard
1.55186	0.053169	standard
1.56717	0.0987382	standard
1.58973	0.124481	standard
1.60481	0.0821261	standard
1.62259	0.0730261	standard
1.63862	0.0466228	standard
1.65941	0.0187543	standard
1.68507	0.0036	standard
1.71016	0.002979	standard
1.73858	0.00141812	standard
1.76447	0.00108212	standard
2.1451	0.001895	standard
2.16369	0.0041835	standard
2.20128	0.0067675	standard
2.25035	0.0698965	standard
2.25981	0.0941656	standard
2.26743	0.129854	standard
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1.59474	0.0687438	standard
1.59975	0.0512192	standard
1.60387	0.0401991	standard
1.60886	0.0220617	standard
1.61288	0.020245	standard
1.61501	0.0139356	standard
1.62027	0.00930717	standard
1.62402	0.00637014	standard
1.63118	0.00123722	standard
1.63477	0.00100902	standard
2.25024	0.0142802	standard
2.25875	0.0205044	standard
2.26934	0.0415297	standard
2.27302	0.011809	standard
2.27854	0.052382	standard
2.28481	0.0571643	standard
2.28712	0.102709	standard
2.29106	0.0509935	standard
2.29222	0.0513022	standard
2.29665	0.0932364	standard
2.29877	0.0569842	standard
2.30426	0.044833	standard
2.30607	0.0423972	standard
2.31062	0.0126081	standard
2.31355	0.0396496	standard
2.31586	0.0205189	standard
2.32342	0.0167372	standard
2.3253	0.0170437	standard
2.33268	0.0140302	standard
3.34406	1.0	standard
3.76287	0.0568502	standard
3.76649	0.074269	standard
3.77062	0.056164	standard
4.11526	0.0228032	standard
4.12342	0.0251067	standard
4.12868	0.0271364	standard
4.13693	0.025074	standard
4.28258	0.115709	standard
4.38009	0.0281118	standard
4.38402	0.0286303	standard
4.39355	0.026114	standard
4.39748	0.025498	standard
5.17994	0.0128585	standard
5.18441	0.016821	standard
5.19102	0.0248952	standard
5.1977	0.0168449	standard
5.20218	0.0128635	standard
0.885897	0.109177	standard
0.892874	0.215954	standard
0.899841	0.112615	standard
1.26343	0.00846019	standard
1.26705	0.0133448	standard
1.26853	0.0122065	standard
1.27185	0.0213331	standard
1.27542	0.0329896	standard
1.28075	0.0481246	standard
1.28394	0.0533494	standard
1.28792	0.0747859	standard
1.29136	0.0715076	standard
1.29557	0.0749275	standard
1.29897	0.0773626	standard
1.3027	0.0790372	standard
1.3077	0.0852525	standard
1.30966	0.0825304	standard
1.31523	0.0440658	standard
1.31624	0.0452715	standard
1.32056	0.033044	standard
1.32307	0.0294877	standard
1.32712	0.0143541	standard
1.33034	0.00739652	standard
1.33385	0.004031	standard
1.54729	0.000986025	standard
1.55044	0.00115133	standard
1.55817	0.00419282	standard
1.56112	0.00690772	standard
1.56267	0.00669401	standard
1.56474	0.00786327	standard
1.56731	0.012374	standard
1.56954	0.013805	standard
1.57346	0.0317181	standard
1.57553	0.0292561	standard
1.57795	0.0394913	standard
1.58213	0.0486567	standard
1.58484	0.061949	standard
1.58686	0.0628557	standard
1.58837	0.0545557	standard
1.59216	0.0634629	standard
1.5934	0.0601813	standard
1.59554	0.0649365	standard
1.59975	0.0463963	standard
1.60363	0.0397153	standard
1.60849	0.0216339	standard
1.61215	0.0208732	standard
1.61425	0.014112	standard
1.61926	0.00971409	standard
1.62282	0.00636186	standard
1.62971	0.00121303	standard
1.63299	0.000995025	standard
2.25143	0.0146432	standard
2.25949	0.0209225	standard
2.25993	0.020763	standard
2.26956	0.0393108	standard
2.27368	0.012105	standard
2.27815	0.0510553	standard
2.28651	0.0833092	standard
2.29185	0.0549915	standard
2.29561	0.0646601	standard
2.29747	0.0773889	standard
2.30459	0.0425861	standard
2.30636	0.0412693	standard
2.30987	0.0125256	standard
2.3134	0.0394318	standard
2.31559	0.0205508	standard
2.32275	0.0170794	standard
2.32456	0.0174209	standard
2.33156	0.0144382	standard
3.34406	1.0	standard
3.76645	0.0746691	standard
3.77048	0.0557816	standard
4.11585	0.0228341	standard
4.12362	0.0251507	standard
4.12858	0.0270886	standard
4.13634	0.0250111	standard
4.28263	0.113165	standard
4.38048	0.0279614	standard
4.38423	0.028483	standard
4.39324	0.0259668	standard
4.3971	0.0253409	standard
5.18054	0.0127483	standard
5.1848	0.0167357	standard
5.19106	0.0248093	standard
5.19732	0.0167357	standard
5.20158	0.0127484	standard
0.886242	0.109243	standard
0.892882	0.215673	standard
0.899526	0.112878	standard
1.26435	0.00795256	standard
1.26799	0.0131241	standard
1.26887	0.0125361	standard
1.27243	0.0226027	standard
1.27572	0.0342697	standard
1.28096	0.0466908	standard
1.28389	0.0539808	standard
1.28789	0.0708742	standard
1.29175	0.0688389	standard
1.29528	0.0745998	standard
1.29887	0.0687751	standard
1.30252	0.0752809	standard
1.30781	0.0805771	standard
1.30954	0.0821331	standard
1.3123	0.0481718	standard
1.316	0.0459353	standard
1.32003	0.0331664	standard
1.32238	0.0301735	standard
1.3263	0.0144602	standard
1.3292	0.00746635	standard
1.3326	0.004147	standard
1.54887	0.000965083	standard
1.55183	0.00112445	standard
1.55932	0.00431805	standard
1.56207	0.00703117	standard
1.56386	0.00698407	standard
1.56558	0.00788401	standard
1.56811	0.0126765	standard
1.57016	0.0139734	standard
1.57395	0.0318893	standard
1.57569	0.028839	standard
1.5782	0.0394673	standard
1.58211	0.0472462	standard
1.58444	0.0609925	standard
1.58579	0.058054	standard
1.58836	0.055131	standard
1.5925	0.065284	standard
1.59579	0.0604301	standard
1.59987	0.042512	standard
1.60338	0.0398969	standard
1.6061	0.0270885	standard
1.60811	0.0214278	standard
1.6116	0.0208873	standard
1.61367	0.0146184	standard
1.61835	0.0100516	standard
1.62175	0.00633357	standard
1.62842	0.00118403	standard
1.6315	0.000975025	standard
2.25242	0.0149931	standard
2.26009	0.0212045	standard
2.26063	0.0209963	standard
2.26964	0.0378818	standard
2.27436	0.013037	standard
2.2774	0.0488913	standard
2.27789	0.0490416	standard
2.28545	0.0785746	standard
2.28822	0.0594854	standard
2.29167	0.0582728	standard
2.29514	0.0574184	standard
2.29829	0.0801553	standard
2.30488	0.041199	standard
2.30662	0.0407261	standard
2.3132	0.0371913	standard
2.31541	0.0201948	standard
2.32212	0.017457	standard
2.32387	0.0177724	standard
2.33047	0.0148202	standard
3.34406	1.0	standard
3.76654	0.0740028	standard
3.77033	0.0554658	standard
4.11635	0.0228681	standard
4.12371	0.0251294	standard
4.12849	0.0269748	standard
4.13584	0.0249341	standard
4.28266	0.110631	standard
4.38086	0.0276907	standard
4.38454	0.0282381	standard
4.39305	0.0261495	standard
4.39661	0.0255343	standard
5.18105	0.0127953	standard
5.18512	0.0168745	standard
5.19109	0.0247492	standard
5.197	0.0168324	standard
5.20107	0.0127883	standard
0.886849	0.108904	standard
0.892884	0.214011	standard
0.898931	0.112199	standard
1.26593	0.00739478	standard
1.26908	0.012234	standard
1.27029	0.0135795	standard
1.27351	0.0238416	standard
1.27636	0.0363655	standard
1.27775	0.0275306	standard
1.28376	0.055714	standard
1.28827	0.0652165	standard
1.29094	0.0625917	standard
1.29467	0.0660963	standard
1.29626	0.056593	standard
1.29757	0.0581322	standard
1.30168	0.0618784	standard
1.30316	0.0692709	standard
1.3078	0.0740694	standard
1.30938	0.0827929	standard
1.31268	0.0487501	standard
1.31558	0.0458311	standard
1.31919	0.0332629	standard
1.32118	0.0315438	standard
1.32501	0.0135661	standard
1.32733	0.00774134	standard
1.33031	0.00440044	standard
1.55145	0.000919083	standard
1.55399	0.001061	standard
1.56128	0.004517	standard
1.56367	0.00737747	standard
1.56574	0.00791905	standard
1.57112	0.0144674	standard
1.57469	0.0318413	standard
1.57848	0.038514	standard
1.58219	0.0459982	standard
1.58443	0.0510196	standard
1.58576	0.0544485	standard
1.58786	0.046383	standard
1.58875	0.0468335	standard
1.59314	0.0546034	standard
1.59577	0.0563271	standard
1.5991	0.0346064	standard
1.6	0.037368	standard
1.60317	0.0403826	standard
1.6056	0.0278555	standard
1.60751	0.0213302	standard
1.61018	0.02181	standard
1.61251	0.015286	standard
1.61671	0.0105245	standard
1.61992	0.00630151	standard
1.62626	0.00112502	standard
1.62882	0.000942025	standard
2.2542	0.0156371	standard
2.26115	0.0218837	standard
2.26171	0.0217316	standard
2.26982	0.0369727	standard
2.27303	0.0110409	standard
2.27679	0.0478059	standard
2.27738	0.0472132	standard
2.28509	0.0608661	standard
2.28655	0.048216	standard
2.28881	0.0513521	standard
2.29165	0.0646397	standard
2.29445	0.0503254	standard
2.29694	0.0470001	standard
2.29825	0.0558018	standard
2.29922	0.0516643	standard
2.30542	0.0397061	standard
2.3071	0.0412371	standard
2.31053	0.0120435	standard
2.31302	0.0349838	standard
2.31503	0.0203118	standard
2.32109	0.0180993	standard
2.32277	0.0182709	standard
2.32879	0.0154902	standard
3.34406	1.0	standard
3.76358	0.0566065	standard
3.76666	0.0743623	standard
3.77009	0.0552718	standard
4.11734	0.0229463	standard
4.12401	0.0252507	standard
4.12829	0.0269228	standard
4.13495	0.0248203	standard
4.28274	0.105264	standard
4.38155	0.0276081	standard
4.38484	0.0281436	standard
4.39264	0.0261072	standard
4.39593	0.0255021	standard
5.18197	0.0128351	standard
5.1856	0.0168003	standard
5.19096	0.0249354	standard
5.19653	0.0166126	standard
5.20015	0.0128043	standard
0.887816	0.10995	standard
0.892918	0.214772	standard
0.897998	0.111125	standard
1.26832	0.00701484	standard
1.27079	0.0132799	standard
1.2732	0.0148386	standard
1.27473	0.0207077	standard
1.27718	0.0316202	standard
1.27849	0.0305177	standard
1.2797	0.0359823	standard
1.28124	0.0377636	standard
1.28349	0.0546122	standard
1.28587	0.0459734	standard
1.28863	0.060916	standard
1.28996	0.0591605	standard
1.29416	0.0494531	standard
1.29601	0.0498668	standard
1.29974	0.0353694	standard
1.30416	0.0541918	standard
1.30797	0.0690783	standard
1.30937	0.0809992	standard
1.3125	0.0520292	standard
1.31442	0.0465089	standard
1.31784	0.0326228	standard
1.3191	0.0349578	standard
1.32124	0.0239619	standard
1.32313	0.0124695	standard
1.32693	0.00491785	standard
1.55532	0.000825062	standard
1.55725	0.00093045	standard
1.56425	0.00485441	standard
1.56608	0.00790952	standard
1.56804	0.00946859	standard
1.57209	0.0168483	standard
1.57596	0.0328348	standard
1.57868	0.036114	standard
1.58235	0.0483327	standard
1.58364	0.0467174	standard
1.58757	0.038546	standard
1.5886	0.0363346	standard
1.59047	0.0488059	standard
1.59381	0.0361452	standard
1.59442	0.0378174	standard
1.59701	0.0483045	standard
1.59846	0.0336886	standard
1.60027	0.0332431	standard
1.60271	0.0405313	standard
1.6066	0.0208858	standard
1.60819	0.0239122	standard
1.61056	0.0169682	standard
1.61434	0.0114241	standard
1.61624	0.00627	standard
1.61699	0.00659902	standard
1.6229	0.00100616	standard
1.62506	0.000844	standard
2.25688	0.0166471	standard
2.26285	0.0238506	standard
2.26319	0.0237645	standard
2.27012	0.0357308	standard
2.27657	0.0528308	standard
2.2825	0.0381253	standard
2.28588	0.0488304	standard
2.28992	0.0490531	standard
2.29163	0.0754504	standard
2.29336	0.0488166	standard
2.2976	0.0478419	standard
2.30129	0.0361667	standard
2.30635	0.0435587	standard
2.30779	0.0426985	standard
2.31283	0.0333695	standard
2.31445	0.0211368	standard
2.3196	0.0192248	standard
2.32104	0.0193116	standard
2.32611	0.0165592	standard
3.34406	1.0	standard
3.76649	0.075082	standard
3.76952	0.0553952	standard
4.11872	0.0230302	standard
4.1244	0.02535	standard
4.128	0.026762	standard
4.13366	0.0246122	standard
4.28291	0.0954399	standard
4.38262	0.0272897	standard
4.38545	0.0278583	standard
4.39193	0.026149	standard
4.39475	0.0255252	standard
5.1834	0.0127125	standard
5.1864	0.016809	standard
5.19112	0.0248822	standard
5.1956	0.0166205	standard
5.19871	0.0129192	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

2-[2,3-Di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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