N-Methylaniline

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.06248
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
	Note 1	None

Sample description:

Compound	Type	Concentration
N-Methylaniline	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
9	2.738	-14.0	-14.0	0	0	0	0	0
10	0	2.738	-14.0	0	0	0	0	0
11	0	0	2.738	0	0	0	0	0
12	0	0	0	6.872	7.619	7.619	0	0
13	0	0	0	0	7.293	1.5	8.103	0
14	0	0	0	0	0	7.293	0	8.103
15	0	0	0	0	0	0	6.85	1.5
16	0	0	0	0	0	0	0	6.85

Spectra

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

PPM	Amplitude	Peak Type
2.73843	1.0	standard
6.84282	0.282515	standard
6.85623	0.305459	standard
6.87232	0.172716	standard
6.885	0.0905436	standard
7.28034	0.150211	standard
7.29336	0.274585	standard
7.30639	0.141337	standard
2.73843	1.0	standard
6.74157	0.169871	standard
6.92526	0.393395	standard
6.99952	0.220842	standard
7.14962	0.280563	standard
7.30918	0.139375	standard
7.50488	0.0474471	standard
2.73843	1.0	standard
6.73321	0.0837571	standard
6.77727	0.206993	standard
6.9041	0.372098	standard
6.97499	0.168068	standard
7.18578	0.230017	standard
7.24853	0.065136	standard
7.31345	0.190183	standard
7.43778	0.067739	standard
2.73843	1.0	standard
6.79562	0.230603	standard
6.89272	0.36208	standard
6.95478	0.146866	standard
7.20807	0.207934	standard
7.30476	0.219739	standard
7.40024	0.0831684	standard
2.73843	1.0	standard
6.8018	0.239885	standard
6.88854	0.36182	standard
6.94706	0.140013	standard
7.21608	0.200959	standard
7.30235	0.228989	standard
7.38764	0.0892967	standard
2.73843	1.0	standard
6.80669	0.248374	standard
6.885	0.364419	standard
6.94065	0.134417	standard
7.2228	0.195433	standard
7.30066	0.235767	standard
7.37763	0.0944097	standard
2.73843	1.0	standard
6.82908	0.299649	standard
6.86931	0.449959	standard
6.9087	0.109538	standard
7.25594	0.169695	standard
7.29498	0.261203	standard
7.33389	0.119106	standard
2.73843	1.0	standard
6.83588	0.276226	standard
6.84609	0.125892	standard
6.86265	0.323344	standard
6.87132	0.218915	standard
6.89711	0.100831	standard
7.26789	0.161976	standard
7.29392	0.270642	standard
7.32	0.128487	standard
2.73843	1.0	standard
6.83939	0.278104	standard
6.8594	0.310905	standard
6.87205	0.182311	standard
6.89112	0.0954969	standard
7.27403	0.155793	standard
7.29354	0.27446	standard
7.3131	0.135211	standard
2.73843	1.0	standard
6.84146	0.280143	standard
6.85738	0.370443	standard
6.87222	0.175287	standard
6.88748	0.092816	standard
7.27777	0.152437	standard
7.29341	0.27409	standard
7.30905	0.138978	standard
2.73843	1.0	standard
6.84282	0.282476	standard
6.85623	0.305449	standard
6.87232	0.17271	standard
6.885	0.0905516	standard
7.28034	0.150204	standard
7.29336	0.274553	standard
7.30639	0.141331	standard
2.73843	1.0	standard
6.84381	0.284345	standard
6.85531	0.291363	standard
6.86143	0.106472	standard
6.87238	0.171641	standard
6.88322	0.0887724	standard
7.28212	0.148025	standard
7.29328	0.274582	standard
7.30445	0.143074	standard
2.73843	1.0	standard
6.84422	0.28466	standard
6.85491	0.28871	standard
6.86224	0.09901	standard
6.8724	0.171197	standard
6.88252	0.0884064	standard
7.28284	0.147117	standard
7.29326	0.274692	standard
7.30369	0.144289	standard
2.73843	1.0	standard
6.84458	0.284983	standard
6.8546	0.288168	standard
6.86288	0.0953127	standard
6.87241	0.171272	standard
6.88193	0.0880792	standard
7.28346	0.146966	standard
7.29323	0.276822	standard
7.303	0.144238	standard
2.73843	1.0	standard
6.8451	0.28417	standard
6.85404	0.286789	standard
6.86398	0.0916733	standard
6.87243	0.170234	standard
6.88094	0.087803	standard
7.28455	0.14723	standard
7.29321	0.273977	standard
7.30191	0.144932	standard
2.73843	1.0	standard
6.84536	0.284627	standard
6.85381	0.286286	standard
6.86448	0.090832	standard
6.87245	0.170739	standard
6.88044	0.0873671	standard
7.28498	0.146227	standard
7.29321	0.276078	standard
7.30141	0.145459	standard
2.73843	1.0	standard
6.84557	0.284764	standard
6.85361	0.285713	standard
6.86488	0.0900442	standard
6.87245	0.170519	standard
6.88005	0.0872941	standard
7.28537	0.146605	standard
7.29319	0.277544	standard
7.30102	0.144944	standard
2.73843	1.0	standard
6.84654	0.285326	standard
6.85266	0.285596	standard
6.86667	0.0880392	standard
6.87249	0.16977	standard
6.87836	0.0869969	standard
7.28714	0.145053	standard
7.29316	0.272585	standard
7.29918	0.145031	standard

View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks

Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

N-Methylaniline

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

Help