2-Ethyl-4-methyl-1H-imidazole

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.02284
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
	Note 1	None

Sample description:

Compound	Type	Concentration
2-Ethyl-4-methyl-1H-imidazole	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
9	1.306	-14.0	-14.0	0	0	0	8.183	8.183	0
10	0	1.306	-14.0	0	0	0	8.183	8.183	0
11	0	0	1.306	0	0	0	8.183	8.183	0
12	0	0	0	2.248	-14.0	-14.0	0	0	0
13	0	0	0	0	2.248	-14.0	0	0	0
14	0	0	0	0	0	2.248	0	0	0
15	0	0	0	0	0	0	2.896	-14.0	0
16	0	0	0	0	0	0	0	2.896	0
17	0	0	0	0	0	0	0	0	6.944

Spectra

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

PPM	Amplitude	Peak Type
1.2926	0.257971	standard
1.30623	0.506884	standard
1.31986	0.257797	standard
2.24835	1.0	standard
2.87527	0.0881716	standard
2.8889	0.25448	standard
2.90253	0.255111	standard
2.91616	0.0879221	standard
6.94363	0.332579	standard
1.09456	0.147765	standard
1.29893	0.399287	standard
1.49327	0.259067	standard
2.24835	1.0	standard
2.60155	0.095624	standard
2.62278	0.093937	standard
2.80235	0.211876	standard
3.00836	0.168698	standard
3.20217	0.0438851	standard
3.23371	0.0413781	standard
6.94363	0.33053	standard
1.16589	0.181907	standard
1.30118	0.446735	standard
1.43557	0.262001	standard
2.24835	1.0	standard
2.70103	0.093565	standard
2.83306	0.22505	standard
2.9693	0.195218	standard
3.10552	0.055503	standard
6.94363	0.331879	standard
1.20138	0.202974	standard
1.30314	0.470539	standard
1.40479	0.264276	standard
2.24835	1.0	standard
2.74773	0.0942871	standard
2.84848	0.235947	standard
2.95041	0.211894	standard
3.0531	0.0640983	standard
6.94363	0.331978	standard
1.21325	0.210618	standard
1.30376	0.478483	standard
1.39431	0.264992	standard
2.24835	1.0	standard
2.76355	0.0945033	standard
2.85355	0.240586	standard
2.94413	0.218361	standard
3.03536	0.0673852	standard
6.94363	0.332072	standard
1.22271	0.216711	standard
1.30424	0.484119	standard
1.38576	0.265065	standard
2.24835	1.0	standard
2.77634	0.0943953	standard
2.85755	0.24315	standard
2.93908	0.223347	standard
3.02113	0.0700543	standard
6.94363	0.331687	standard
1.26492	0.246283	standard
1.30578	0.501955	standard
1.34664	0.260275	standard
2.24835	1.0	standard
2.83513	0.090824	standard
2.87597	0.250611	standard
2.91681	0.247411	standard
2.95767	0.0822795	standard
6.94363	0.331916	standard
1.27882	0.254181	standard
1.30607	0.504822	standard
1.33334	0.257047	standard
2.24835	1.0	standard
2.85505	0.0878707	standard
2.88234	0.249943	standard
2.9096	0.253969	standard
2.93683	0.0868335	standard
6.94363	0.33218	standard
1.28573	0.256807	standard
1.30618	0.506076	standard
1.32662	0.257413	standard
2.24835	1.0	standard
2.86515	0.0879221	standard
2.88561	0.252451	standard
2.90603	0.254726	standard
2.92647	0.0876582	standard
6.94363	0.332204	standard
1.28984	0.257522	standard
1.30623	0.507188	standard
1.32256	0.257796	standard
2.24835	1.0	standard
2.8712	0.0877884	standard
2.88756	0.253175	standard
2.90392	0.254337	standard
2.92027	0.0877424	standard
6.94363	0.332038	standard
1.2926	0.257737	standard
1.30623	0.506442	standard
1.31986	0.25779	standard
2.24835	1.0	standard
2.87527	0.0881587	standard
2.8889	0.254389	standard
2.90253	0.255031	standard
2.91616	0.0878861	standard
6.94363	0.332117	standard
1.29458	0.257956	standard
1.30623	0.506668	standard
1.31797	0.257617	standard
2.24835	1.0	standard
2.87814	0.0881379	standard
2.88984	0.254236	standard
2.90154	0.254583	standard
2.91323	0.0881056	standard
6.94363	0.332606	standard
1.29537	0.257465	standard
1.30628	0.506831	standard
1.31718	0.25753	standard
2.24835	1.0	standard
2.87933	0.08801	standard
2.89022	0.254749	standard
2.90112	0.254621	standard
2.91205	0.0879455	standard
6.94363	0.331881	standard
1.29607	0.257242	standard
1.30628	0.506691	standard
1.31649	0.257422	standard
2.24835	1.0	standard
2.88032	0.0880343	standard
2.89056	0.254232	standard
2.90078	0.254255	standard
2.91105	0.0877629	standard
6.94363	0.332481	standard
1.29718	0.257994	standard
1.30628	0.507387	standard
1.31537	0.257905	standard
2.24835	1.0	standard
2.88201	0.0880292	standard
2.89111	0.254779	standard
2.90022	0.254856	standard
2.90927	0.0880243	standard
6.94363	0.332445	standard
1.29768	0.257747	standard
1.30628	0.506574	standard
1.31488	0.257898	standard
2.24835	1.0	standard
2.88275	0.0882141	standard
2.89134	0.254628	standard
2.89993	0.254571	standard
2.90858	0.0877768	standard
6.94363	0.332503	standard
1.29812	0.257883	standard
1.30628	0.506807	standard
1.31448	0.257632	standard
2.24835	1.0	standard
2.88339	0.0879862	standard
2.89157	0.254665	standard
2.89974	0.254487	standard
2.90793	0.0881121	standard
6.94363	0.332141	standard
1.30001	0.257484	standard
1.30628	0.506802	standard
1.3126	0.257615	standard
2.24835	1.0	standard
2.88622	0.0882692	standard
2.89248	0.254472	standard
2.89881	0.255227	standard
2.90506	0.0881962	standard
6.94363	0.332274	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

2-Ethyl-4-methyl-1H-imidazole

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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