Cis-1-3-dichloropropene

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.01262
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1-
	Note 1	None

Sample description:

Compound	Type	Concentration
cis-1,3-dichloropropene	Solute	Saturated1
CDCl3	Solvent	100%
TMS	Reference	0.5%

Show/Hide Spin System Matrix

Spin System Matrix

	8	9	6	7
8	4.234	-12.4	7.632	1.399
9	0	4.234	7.274	0.784
6	0	0	6.014	7.206
7	0	0	0	6.241

Spectra

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

PPM	Amplitude	Peak Type
4.22536	0.998028	standard
4.22739	1.00042	standard
4.24023	1.00042	standard
4.24227	0.998031	standard
5.99214	0.20183	standard
6.00681	0.594744	standard
6.02157	0.622643	standard
6.03627	0.228755	standard
6.23206	0.321133	standard
6.23405	0.529823	standard
6.23605	0.324773	standard
6.24641	0.281093	standard
6.24854	0.465057	standard
6.25052	0.282912	standard
3.88309	0.0109931	standard
3.99966	0.0410481	standard
4.12423	0.731993	standard
4.15632	0.584751	standard
4.18484	0.517421	standard
4.27453	0.592302	standard
4.29972	0.689343	standard
4.33506	1.0	standard
4.45946	0.0597816	standard
4.57352	0.0182571	standard
5.72763	0.171892	standard
5.90718	0.498194	standard
6.07665	0.542578	standard
6.08713	0.54806	standard
6.14552	0.461228	standard
6.18379	0.818777	standard
6.23925	0.78629	standard
6.32445	0.166693	standard
6.36302	0.191812	standard
6.42087	0.0336274	standard
4.02443	0.0156153	standard
4.16104	0.844063	standard
4.18256	0.723046	standard
4.28002	0.825478	standard
4.30241	1.0	standard
4.4393	0.0195081	standard
5.82383	0.17482	standard
5.94378	0.519258	standard
6.06243	0.574841	standard
6.17663	0.720044	standard
6.19601	0.779699	standard
6.22402	0.441249	standard
6.29416	0.183445	standard
6.3161	0.257936	standard
6.34348	0.0922017	standard
4.17956	0.884596	standard
4.19537	0.841976	standard
4.26982	0.931563	standard
4.28565	1.00001	standard
5.87213	0.177254	standard
5.96233	0.538037	standard
6.0529	0.611159	standard
6.14223	0.318747	standard
6.18978	0.379948	standard
6.20477	0.671497	standard
6.22198	0.404368	standard
6.27965	0.202259	standard
6.29471	0.305599	standard
6.31178	0.143147	standard
4.18571	0.901654	standard
4.19919	0.86738	standard
4.26646	0.957027	standard
4.28002	1.00003	standard
5.8881	0.179014	standard
5.96851	0.544682	standard
6.04936	0.622616	standard
6.12941	0.29881	standard
6.19499	0.369563	standard
6.20801	0.646217	standard
6.22235	0.393669	standard
6.27488	0.210213	standard
6.28794	0.323928	standard
6.30219	0.162191	standard
4.19064	0.911898	standard
4.20245	0.891536	standard
4.26357	0.971741	standard
4.27542	1.0	standard
5.90099	0.180711	standard
5.97345	0.549884	standard
6.04642	0.625694	standard
6.1189	0.285986	standard
6.19934	0.364894	standard
6.21069	0.631989	standard
6.22315	0.384276	standard
6.2712	0.217323	standard
6.2827	0.33925	standard
6.29498	0.177394	standard
4.21247	0.957984	standard
4.21772	0.962473	standard
4.2495	1.0001	standard
4.25481	0.998952	standard
5.95822	0.192325	standard
5.99484	0.57102	standard
6.03162	0.623453	standard
6.06841	0.242077	standard
6.21931	0.338307	standard
6.22448	0.566257	standard
6.2298	0.345252	standard
6.25527	0.25569	standard
6.26053	0.414418	standard
6.26576	0.244838	standard
4.2196	0.997696	standard
4.22303	1.00011	standard
4.24439	0.996522	standard
4.24788	0.996383	standard
5.97706	0.194708	standard
6.00159	0.585938	standard
6.0261	0.630395	standard
6.05065	0.239862	standard
6.22632	0.3319	standard
6.22969	0.550957	standard
6.23307	0.337862	standard
6.25031	0.275619	standard
6.25369	0.447336	standard
6.25705	0.269104	standard
4.22319	0.991737	standard
4.22579	0.994187	standard
4.24179	1.00004	standard
4.24433	0.996303	standard
5.98648	0.198413	standard
6.00492	0.58504	standard
6.02324	0.619722	standard
6.04173	0.232015	standard
6.22992	0.324842	standard
6.23242	0.535668	standard
6.23491	0.329204	standard
6.24785	0.279763	standard
6.25042	0.456807	standard
6.25297	0.274916	standard
4.22536	0.998027	standard
4.22739	1.00042	standard
4.24023	1.00042	standard
4.24227	0.998029	standard
5.99214	0.201837	standard
6.00685	0.586571	standard
6.02157	0.622689	standard
6.03627	0.228769	standard
6.23206	0.321096	standard
6.23405	0.529816	standard
6.23605	0.324734	standard
6.24641	0.281072	standard
6.24854	0.465069	standard
6.25052	0.28289	standard
4.22673	0.989109	standard
4.22845	0.994347	standard
4.23918	1.00126	standard
4.24084	0.998946	standard
5.99581	0.202706	standard
6.00811	0.583022	standard
6.02037	0.606717	standard
6.0327	0.225	standard
6.2335	0.310924	standard
6.23525	0.520757	standard
6.23686	0.322255	standard
6.2455	0.283854	standard
6.24725	0.469178	standard
6.24886	0.287504	standard
4.22777	1.00151	standard
4.22919	1.00007	standard
4.23837	0.995813	standard
4.23986	0.992896	standard
5.99849	0.20491	standard
6.00903	0.592491	standard
6.01952	0.606418	standard
6.03002	0.224124	standard
6.23458	0.312376	standard
6.23604	0.517711	standard
6.2375	0.31549	standard
6.24489	0.289754	standard
6.24635	0.47726	standard
6.24767	0.295646	standard
4.22815	1.00108	standard
4.22955	1.00356	standard
4.23807	1.00356	standard
4.23947	1.00108	standard
5.99958	0.207336	standard
6.0094	0.604783	standard
6.0192	0.62364	standard
6.02903	0.225389	standard
6.2351	0.325051	standard
6.23633	0.52471	standard
6.2377	0.317371	standard
6.24458	0.291819	standard
6.24595	0.478669	standard
6.24732	0.288516	standard
4.2285	0.988459	standard
4.2298	0.990887	standard
4.23783	1.00001	standard
4.23907	1.0033	standard
6.00047	0.206	standard
6.0097	0.596619	standard
6.0189	0.61428	standard
6.02814	0.222771	standard
6.23536	0.310735	standard
6.23663	0.514886	standard
6.23791	0.313686	standard
6.24438	0.290597	standard
6.24566	0.476185	standard
6.24693	0.287444	standard
4.22909	0.984626	standard
4.23025	0.994287	standard
4.23737	1.00437	standard
4.23848	1.00203	standard
6.00206	0.206734	standard
6.0102	0.589893	standard
6.0184	0.605856	standard
6.02655	0.221626	standard
6.23606	0.315718	standard
6.23713	0.516829	standard
6.2382	0.318437	standard
6.24396	0.285686	standard
6.24516	0.477586	standard
6.24623	0.29367	standard
4.22933	1.00089	standard
4.23045	1.00342	standard
4.23717	1.00341	standard
4.23829	1.00089	standard
6.00265	0.209717	standard
6.01045	0.602702	standard
6.01818	0.63053	standard
6.02596	0.224036	standard
6.23623	0.309564	standard
6.23733	0.515866	standard
6.23842	0.312478	standard
6.24388	0.300236	standard
6.24491	0.484102	standard
6.24594	0.297312	standard
4.22959	0.997793	standard
4.23059	1.00016	standard
4.23702	0.988168	standard
4.23809	0.994734	standard
6.00325	0.209112	standard
6.01065	0.597157	standard
6.01798	0.625364	standard
6.02536	0.222655	standard
6.23654	0.313872	standard
6.23752	0.517086	standard
6.23851	0.316587	standard
6.24379	0.305365	standard
6.24471	0.481811	standard
6.24576	0.28895	standard
4.22993	1.0018	standard
4.23085	1.00412	standard
4.23677	1.00412	standard
4.23769	1.0018	standard
6.00424	0.208911	standard
6.011	0.578325	standard
6.01769	0.618244	standard
6.02437	0.221212	standard
6.23693	0.311773	standard
6.23782	0.513789	standard
6.23872	0.314438	standard
6.24347	0.297419	standard
6.24437	0.485405	standard
6.24526	0.294612	standard
4.23051	1.00079	standard
4.23136	1.00316	standard
4.23627	1.00316	standard
4.23711	1.00079	standard
6.00582	0.212919	standard
6.01152	0.615814	standard
6.01719	0.606596	standard
6.02288	0.223356	standard
6.23763	0.323371	standard
6.23832	0.515919	standard
6.239	0.325797	standard
6.24305	0.295652	standard
6.24387	0.504968	standard
6.24455	0.31154	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

Cis-1-3-dichloropropene

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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