2-6-Dichlorophenol

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.01679
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H4Cl2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
	Note 1	benzene 7.1572

Sample description:

Compound	Type	Concentration
2,6-dichlorophenol	Solute	Saturated1
benzene	Solvent	100%
TMS	Reference	10mM

Show/Hide Spin System Matrix

Spin System Matrix

	10	11	12
10	6.116	7.865	7.865
11	0	6.753	0
12	0	0	6.753

Spectra

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

PPM	Amplitude	Peak Type
6.09996	0.237864	standard
6.11572	0.484296	standard
6.13149	0.261576	standard
6.74487	1.0	standard
6.76053	0.953271	standard
-0.936674	6.125e-06	standard
5.89406	0.122766	standard
6.05869	0.205615	standard
6.11498	0.250636	standard
6.27874	0.37617	standard
6.67056	1.0	standard
6.84509	0.424851	standard
6.88002	0.383654	standard
-0.928045	3.125e-06	standard
5.97291	0.154544	standard
6.09248	0.271961	standard
6.11373	0.289755	standard
6.23232	0.333837	standard
6.6943	1.0	standard
6.82188	0.577059	standard
-0.950064	2.125e-06	standard
6.01066	0.173497	standard
6.11216	0.331233	standard
6.20604	0.311289	standard
6.70749	1.0	standard
6.80499	0.689366	standard
-0.608962	1.125e-06	standard
6.02305	0.180396	standard
6.11137	0.35088	standard
6.19692	0.303789	standard
6.71212	1.0	standard
6.79897	0.728621	standard
-0.678293	1.125e-06	standard
6.03276	0.185895	standard
6.11156	0.368789	standard
6.18939	0.297503	standard
6.71585	1.00002	standard
6.79411	0.757666	standard
6.07538	0.215923	standard
6.11469	0.447768	standard
6.15399	0.273657	standard
6.73361	1.00006	standard
6.77287	0.883353	standard
6.08916	0.227641	standard
6.11538	0.47	standard
6.1416	0.266658	standard
6.73976	1.00016	standard
6.76598	0.921314	standard
6.096	0.234075	standard
6.11562	0.479984	standard
6.13525	0.263573	standard
6.74293	1.00031	standard
6.76256	0.942236	standard
6.09996	0.237872	standard
6.11572	0.484347	standard
6.13139	0.261673	standard
6.74487	1.0	standard
6.76053	0.953285	standard
6.10264	0.240562	standard
6.11577	0.486907	standard
6.12891	0.260382	standard
6.7461	1.00075	standard
6.75924	0.95912	standard
6.10462	0.253437	standard
6.11582	0.494558	standard
6.12702	0.253436	standard
6.747	1.00102	standard
6.7583	0.984043	standard
6.10531	0.253545	standard
6.11582	0.494536	standard
6.12633	0.253544	standard
6.74739	1.00118	standard
6.7579	0.985324	standard
6.10601	0.253058	standard
6.11582	0.493166	standard
6.12564	0.253058	standard
6.74774	1.0	standard
6.75755	0.985157	standard
6.1071	0.255801	standard
6.11587	0.500892	standard
6.12455	0.255978	standard
6.74829	1.00173	standard
6.75701	1.00173	standard
6.10759	0.254922	standard
6.11587	0.498914	standard
6.12415	0.254922	standard
6.74848	0.997782	standard
6.75676	1.0	standard
6.10799	0.2549	standard
6.11587	0.498789	standard
6.12375	0.254899	standard
6.74868	0.997538	standard
6.75656	1.0	standard
6.10868	0.254867	standard
6.11587	0.49852	standard
6.12306	0.254867	standard
6.74903	1.0	standard
6.75622	0.997007	standard
6.10987	0.255048	standard
6.11587	0.497909	standard
6.12197	0.254794	standard
6.74962	1.0	standard
6.75567	1.0	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

2-6-Dichlorophenol

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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