3,3-Dimethylpiperidine hydrochloride

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.04340
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C7H15N.ClH/c1-7(2)4-3-5-8-6-7;/h8H,3-6H2,1-2H3;1H
	Note 1	None

Sample description:

Compound	Type	Concentration
3,3-Dimethylpiperidine hydrochloride	Solute	75uM
DSS	Reference	15uM
bis-Tris-d19	Buffer	11mM
NaCl	.	150mM
NaN3	.	0.04%.
Na Formate	.	200uM

Show/Hide Spin System Matrix

Spin System Matrix

	9	10	11	12	13	14	15	16	17	18	19	20	21	22
9	1.024	-14.0	-14.0	0	0	0	0	0	0	0	0	0	0	0
10	0	1.024	-14.0	0	0	0	0	0	0	0	0	0	0	0
11	0	0	1.024	0	0	0	0	0	0	0	0	0	0	0
12	0	0	0	1.024	-14.0	-14.0	0	0	0	0	0	0	0	0
13	0	0	0	0	1.024	-14.0	0	0	0	0	0	0	0	0
14	0	0	0	0	0	1.024	0	0	0	0	0	0	0	0
15	0	0	0	0	0	0	1.799	-14.0	6.324	6.324	6.105	6.105	0	0
16	0	0	0	0	0	0	0	1.799	6.324	6.324	6.105	6.105	0	0
17	0	0	0	0	0	0	0	0	1.496	-14.0	0	0	0	0
18	0	0	0	0	0	0	0	0	0	1.496	0	0	0	0
19	0	0	0	0	0	0	0	0	0	0	3.089	-14.0	0	0
20	0	0	0	0	0	0	0	0	0	0	0	3.089	0	0
21	0	0	0	0	0	0	0	0	0	0	0	0	2.896	-14.0
22	0	0	0	0	0	0	0	0	0	0	0	0	0	2.896

Spectra

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

PPM	Amplitude	Peak Type
1.0235	1.0	standard
1.48532	0.0812168	standard
1.49583	0.168122	standard
1.50633	0.092699	standard
1.77819	0.025466	standard
1.7885	0.0886294	standard
1.79884	0.12579	standard
1.80918	0.0824696	standard
1.81948	0.022462	standard
2.89613	0.332584	standard
3.0787	0.0881542	standard
3.08887	0.170949	standard
3.099	0.0881689	standard
1.0235	1.0	standard
1.27786	0.0252171	standard
1.3581	0.0381511	standard
1.49585	0.138118	standard
1.5836	0.162295	standard
1.68165	0.102656	standard
1.79745	0.089676	standard
1.94132	0.0500281	standard
2.01333	0.0239851	standard
2.09565	0.0155751	standard
2.13205	0.0125251	standard
2.54159	0.00385413	standard
2.89663	0.352239	standard
3.09032	0.133228	standard
3.23907	0.0509391	standard
1.0235	1.0	standard
1.36276	0.0259911	standard
1.39907	0.0377592	standard
1.49391	0.123593	standard
1.57466	0.12458	standard
1.61886	0.0639531	standard
1.70615	0.0833721	standard
1.79763	0.090758	standard
1.89758	0.0499561	standard
2.00192	0.0151391	standard
2.89617	0.337202	standard
2.9944	0.0996301	standard
3.09102	0.145441	standard
3.18918	0.0637312	standard
1.0235	1.0	standard
1.4012	0.032875	standard
1.42002	0.0394651	standard
1.49391	0.121884	standard
1.5623	0.112635	standard
1.65874	0.0380154	standard
1.72621	0.0823621	standard
1.79854	0.091734	standard
1.87476	0.0536994	standard
1.95381	0.0159511	standard
2.89614	0.334604	standard
3.01677	0.0960892	standard
3.09089	0.157163	standard
3.16446	0.0722402	standard
1.0235	1.0	standard
1.41439	0.036297	standard
1.42753	0.0415565	standard
1.49392	0.123454	standard
1.55669	0.108755	standard
1.67208	0.034734	standard
1.73382	0.0818336	standard
1.79891	0.0936162	standard
1.86713	0.0558554	standard
1.9375	0.016492	standard
2.89614	0.334398	standard
3.0243	0.0952931	standard
3.09059	0.160991	standard
3.15626	0.0749274	standard
1.0235	1.0	standard
1.43356	0.0438671	standard
1.49391	0.125632	standard
1.55161	0.106336	standard
1.68328	0.032545	standard
1.74008	0.0815954	standard
1.79927	0.0955066	standard
1.86098	0.0580064	standard
1.92436	0.0170071	standard
2.89614	0.334152	standard
3.0304	0.094779	standard
3.09031	0.163567	standard
3.14967	0.0772461	standard
1.0235	1.0	standard
1.46309	0.0644	standard
1.49456	0.151548	standard
1.52576	0.0988314	standard
1.73838	0.0272115	standard
1.76886	0.0861525	standard
1.79971	0.113952	standard
1.83069	0.0724295	standard
1.86169	0.0202494	standard
2.89613	0.333103	standard
3.05886	0.090966	standard
3.0892	0.169968	standard
3.11947	0.0849355	standard
1.0235	1.0	standard
1.4743	0.073655	standard
1.4953	0.161502	standard
1.51628	0.0966737	standard
1.75803	0.0264526	standard
1.77859	0.0882242	standard
1.79921	0.121045	standard
1.81987	0.0776526	standard
1.84056	0.0212061	standard
2.89613	0.333012	standard
3.0687	0.0887013	standard
3.089	0.170621	standard
3.10925	0.0875093	standard
1.0235	1.0	standard
1.47985	0.0774745	standard
1.4956	0.165439	standard
1.51136	0.0945435	standard
1.76804	0.0262214	standard
1.78352	0.0885427	standard
1.799	0.123873	standard
1.81452	0.080489	standard
1.83002	0.0217085	standard
2.89613	0.333192	standard
3.0737	0.0881897	standard
3.08892	0.170893	standard
3.10411	0.0881928	standard
1.0235	1.0	standard
1.48315	0.0795874	standard
1.49575	0.167227	standard
1.50835	0.0937056	standard
1.77408	0.0257631	standard
1.78649	0.0883635	standard
1.7989	0.125041	standard
1.81132	0.0819415	standard
1.82369	0.0221681	standard
2.89613	0.332892	standard
3.0767	0.0881097	standard
3.0889	0.170894	standard
3.10106	0.0881359	standard
1.0235	1.0	standard
1.48532	0.0812527	standard
1.49583	0.168247	standard
1.50633	0.09274	standard
1.77819	0.025477	standard
1.7885	0.0886675	standard
1.79884	0.125876	standard
1.80918	0.0825056	standard
1.81948	0.022471	standard
2.89613	0.333189	standard
3.0787	0.0881902	standard
3.08887	0.170965	standard
3.099	0.0882058	standard
1.0235	1.0	standard
1.48686	0.0822585	standard
1.49587	0.168725	standard
1.50489	0.0920341	standard
1.78111	0.0253002	standard
1.78995	0.0882512	standard
1.79881	0.126039	standard
1.80768	0.083361	standard
1.81656	0.0226924	standard
2.89613	0.333109	standard
3.08014	0.0882476	standard
3.08885	0.171012	standard
3.09754	0.088193	standard
1.0235	1.0	standard
1.48747	0.0834471	standard
1.4959	0.168678	standard
1.50433	0.0917876	standard
1.7823	0.0251595	standard
1.79052	0.0882539	standard
1.79879	0.126095	standard
1.80708	0.0844924	standard
1.81537	0.0227306	standard
2.89613	0.333321	standard
3.08073	0.0880556	standard
3.08885	0.170673	standard
3.09697	0.0880827	standard
1.0235	1.0	standard
1.488	0.0841633	standard
1.49592	0.169514	standard
1.50378	0.0904113	standard
1.78329	0.0250562	standard
1.79103	0.0872845	standard
1.79879	0.126536	standard
1.80654	0.0851212	standard
1.81428	0.0228439	standard
2.89613	0.332682	standard
3.08123	0.0882177	standard
3.08885	0.171013	standard
3.09645	0.0881417	standard
1.0235	1.0	standard
1.48889	0.0844124	standard
1.49592	0.169274	standard
1.50295	0.0901308	standard
1.78502	0.0250349	standard
1.79189	0.0872131	standard
1.79876	0.126731	standard
1.80567	0.0851673	standard
1.81255	0.0230474	standard
2.89613	0.333069	standard
3.08207	0.088067	standard
3.08885	0.171097	standard
3.09559	0.0882949	standard
1.0235	1.0	standard
1.48929	0.0845266	standard
1.49592	0.169182	standard
1.50257	0.0900297	standard
1.78571	0.0249596	standard
1.79223	0.087269	standard
1.79876	0.126474	standard
1.8053	0.0854624	standard
1.81186	0.0230601	standard
2.89613	0.333149	standard
3.08242	0.0882225	standard
3.08885	0.171052	standard
3.09524	0.0880981	standard
1.0235	1.0	standard
1.48963	0.0851144	standard
1.49595	0.169652	standard
1.50226	0.0896821	standard
1.78631	0.0248508	standard
1.79255	0.0870529	standard
1.79876	0.126624	standard
1.80496	0.0850458	standard
1.81116	0.0231151	standard
2.89613	0.332676	standard
3.08271	0.0881574	standard
3.08885	0.171004	standard
3.09489	0.088293	standard
1.0235	1.0	standard
1.49112	0.0869156	standard
1.49597	0.170007	standard
1.50082	0.0882407	standard
1.78918	0.0242688	standard
1.79395	0.0866587	standard
1.79874	0.127655	standard
1.80353	0.0862595	standard
1.80829	0.0236174	standard
2.89613	0.333296	standard
3.0841	0.0881402	standard
3.08885	0.171027	standard
3.09351	0.088318	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

3,3-Dimethylpiperidine hydrochloride

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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