2-5-Dichlorophenol

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.01214
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
	Note 1	benzene 7.1575
	Note 2	OH? 4.9443

Sample description:

Compound	Type	Concentration
2,5-dichlorophenol	Solute	Saturated1
benzene	Solvent	100%
TMS	Reference	10mM

Show/Hide Spin System Matrix

Spin System Matrix

	10	11	12
10	6.394	8.789	2.257
11	0	6.602	0
12	0	0	6.729

Spectra

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

PPM	Amplitude	Peak Type
6.38297	0.468042	standard
6.38717	0.473754	standard
6.40051	0.555683	standard
6.40471	0.550985	standard
6.59331	0.93603	standard
6.61086	0.793819	standard
6.72724	1.00026	standard
6.73143	1.00023	standard
-0.953535	8.125e-06	standard
6.2155	0.105874	standard
6.24903	0.102473	standard
6.47797	0.773064	standard
6.53913	1.0	standard
6.71246	0.784848	standard
-0.904537	4.125e-06	standard
6.28147	0.165763	standard
6.31361	0.181052	standard
6.42734	0.549388	standard
6.45938	0.668392	standard
6.55195	1.0	standard
6.71234	0.921537	standard
6.74602	0.703082	standard
-0.981208	3.125e-06	standard
6.31297	0.218043	standard
6.33782	0.237856	standard
6.4226	0.559788	standard
6.44735	0.637007	standard
6.56052	1.00001	standard
6.67041	0.437662	standard
6.71737	0.862167	standard
6.74218	0.760109	standard
-0.836198	2.125e-06	standard
6.32312	0.240403	standard
6.34542	0.261425	standard
6.42062	0.562603	standard
6.44286	0.629769	standard
6.56383	1.0	standard
6.66137	0.450395	standard
6.71854	0.872852	standard
6.74084	0.784213	standard
-0.918721	2.125e-06	standard
6.33103	0.262468	standard
6.35134	0.285432	standard
6.41879	0.568559	standard
6.43905	0.628482	standard
6.56674	1.0	standard
6.65451	0.476429	standard
6.71949	0.886873	standard
6.73974	0.810764	standard
-0.990929	1.125e-06	standard
6.36466	0.383233	standard
6.37522	0.405274	standard
6.40857	0.575266	standard
6.41912	0.601127	standard
6.58205	1.00008	standard
6.62598	0.666945	standard
6.7242	0.98645	standard
6.73462	0.940749	standard
6.37504	0.427861	standard
6.38204	0.446391	standard
6.40427	0.562699	standard
6.41138	0.576766	standard
6.5881	0.968626	standard
6.61735	0.737168	standard
6.72583	1.00001	standard
6.73287	0.96864	standard
6.38003	0.457923	standard
6.38536	0.46358	standard
6.40193	0.565684	standard
6.40726	0.561345	standard
6.59132	0.956828	standard
6.61324	0.779008	standard
6.72668	1.00015	standard
6.732	1.00009	standard
6.38297	0.468049	standard
6.38717	0.473757	standard
6.40051	0.555662	standard
6.40471	0.550966	standard
6.59331	0.936075	standard
6.61086	0.793898	standard
6.72724	1.00026	standard
6.73143	1.00023	standard
6.38494	0.477982	standard
6.38838	0.483724	standard
6.3995	0.548947	standard
6.40305	0.543877	standard
6.5946	0.927091	standard
6.60927	0.808056	standard
6.72761	1.00003	standard
6.73116	1.00001	standard
6.3862	0.479531	standard
6.38929	0.485594	standard
6.39879	0.544178	standard
6.40188	0.538855	standard
6.59559	0.921577	standard
6.60818	0.819123	standard
6.72779	1.00002	standard
6.73088	1.00001	standard
6.38679	0.485548	standard
6.38959	0.491485	standard
6.39849	0.546647	standard
6.40128	0.541383	standard
6.59598	0.9198	standard
6.60768	0.823996	standard
6.72789	1.0001	standard
6.73079	1.00009	standard
6.38729	0.487556	standard
6.38989	0.493395	standard
6.39829	0.545175	standard
6.40089	0.539955	standard
6.59638	0.91654	standard
6.60729	0.826752	standard
6.72798	1.0002	standard
6.7307	1.00019	standard
6.38807	0.486251	standard
6.3904	0.492184	standard
6.39777	0.532844	standard
6.40022	0.527223	standard
6.59698	0.904669	standard
6.60669	0.82542	standard
6.72818	1.00031	standard
6.7305	1.00031	standard
6.38836	0.487434	standard
6.3906	0.493325	standard
6.39768	0.536582	standard
6.39992	0.531214	standard
6.59717	0.905836	standard
6.6064	0.830471	standard
6.72827	1.00057	standard
6.73051	1.00057	standard
6.38865	0.488726	standard
6.39081	0.494783	standard
6.39747	0.535875	standard
6.39963	0.530328	standard
6.59737	0.906063	standard
6.6062	0.834264	standard
6.72826	1.00087	standard
6.73041	1.00086	standard
6.38925	0.497145	standard
6.3911	0.502966	standard
6.39717	0.534487	standard
6.39914	0.528801	standard
6.59777	0.904347	standard
6.6058	0.838946	standard
6.72836	1.00148	standard
6.73032	1.00147	standard
6.39003	0.494252	standard
6.39161	0.500034	standard
6.39677	0.531712	standard
6.39835	0.526302	standard
6.59836	0.890213	standard
6.60511	0.83544	standard
6.72855	1.00222	standard
6.73013	1.00222	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

2-5-Dichlorophenol

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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