2-Methoxy-5-methylphenol

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.02165
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3
	Note 1	None

Sample description:

Compound	Type	Concentration
2-Methoxy-5-methylphenol	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

	11	12	13	14	15	16	17	18	19
11	2.226	-14.0	-14.0	0	0	0	0	0	0
12	0	2.226	-14.0	0	0	0	0	0	0
13	0	0	2.226	0	0	0	0	0	0
14	0	0	0	3.828	-14.0	-14.0	0	0	0
15	0	0	0	0	3.828	-14.0	0	0	0
16	0	0	0	0	0	3.828	0	0	0
17	0	0	0	0	0	0	6.774	8.273	1.558
18	0	0	0	0	0	0	0	6.957	0
19	0	0	0	0	0	0	0	0	6.793

Spectra

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

PPM	Amplitude	Peak Type
2.22573	0.999648	standard
3.82789	1.0	standard
6.76623	0.100522	standard
6.76816	0.111358	standard
6.78202	0.139416	standard
6.79152	0.242845	standard
6.95023	0.180484	standard
6.96391	0.157194	standard
2.22573	0.999829	standard
3.82789	1.0	standard
6.63819	0.0478273	standard
6.81295	0.487966	standard
6.89454	0.338706	standard
7.11076	0.043485	standard
2.22573	0.999879	standard
3.82789	1.0	standard
6.69175	0.0654992	standard
6.80626	0.438047	standard
6.90814	0.265293	standard
7.05152	0.0636031	standard
2.22573	1.0	standard
3.82789	0.999803	standard
6.71633	0.0779722	standard
6.80238	0.429639	standard
6.91663	0.233587	standard
7.02414	0.0775433	standard
2.22573	0.99962	standard
3.82789	1.0	standard
6.7241	0.0822574	standard
6.80095	0.432166	standard
6.91984	0.222352	standard
7.0154	0.0831878	standard
2.22573	0.999689	standard
3.82789	1.0	standard
6.72997	0.0865751	standard
6.79971	0.436461	standard
6.92266	0.213443	standard
7.0087	0.087987	standard
2.22573	0.999974	standard
3.82789	1.0	standard
6.75435	0.103652	standard
6.79246	0.477368	standard
6.93871	0.169089	standard
6.97937	0.109116	standard
2.22573	0.999794	standard
3.82789	1.0	standard
6.76159	0.108119	standard
6.79	0.397015	standard
6.94445	0.183942	standard
6.97122	0.138611	standard
2.22573	1.0	standard
3.82789	0.999532	standard
6.76215	0.0962071	standard
6.76492	0.109939	standard
6.78589	0.196717	standard
6.79094	0.279008	standard
6.94715	0.184979	standard
6.96758	0.150257	standard
2.22573	0.999786	standard
3.82789	1.0	standard
6.76452	0.0977819	standard
6.76695	0.110228	standard
6.78344	0.154598	standard
6.79131	0.252131	standard
6.94899	0.182868	standard
6.9654	0.155026	standard
2.22573	1.0	standard
3.82789	0.99994	standard
6.76623	0.100661	standard
6.76816	0.111525	standard
6.78202	0.13931	standard
6.79152	0.242625	standard
6.95023	0.180607	standard
6.96391	0.157285	standard
2.22573	1.0	standard
3.82789	0.99975	standard
6.76746	0.102562	standard
6.76907	0.112216	standard
6.78091	0.13367	standard
6.79165	0.236667	standard
6.79329	0.208299	standard
6.95112	0.178734	standard
6.96287	0.159075	standard
2.22573	1.0	standard
3.82789	1.0	standard
6.76789	0.102603	standard
6.76948	0.111718	standard
6.77902	0.113231	standard
6.78052	0.13054	standard
6.79175	0.23662	standard
6.79319	0.211409	standard
6.95147	0.178025	standard
6.96247	0.160449	standard
2.22573	1.0	standard
3.82789	0.999491	standard
6.76825	0.10249	standard
6.7698	0.111551	standard
6.77863	0.111135	standard
6.78013	0.127141	standard
6.79179	0.233772	standard
6.79322	0.210213	standard
6.95177	0.17612	standard
6.96208	0.161495	standard
2.22573	0.999643	standard
3.82789	1.0	standard
6.76905	0.10588	standard
6.77029	0.113827	standard
6.77822	0.113406	standard
6.77943	0.125685	standard
6.79181	0.228946	standard
6.79322	0.207131	standard
6.95236	0.175421	standard
6.96148	0.163002	standard
2.22573	0.999938	standard
3.82789	1.0	standard
6.76933	0.106748	standard
6.77049	0.114221	standard
6.77793	0.11026	standard
6.77925	0.122535	standard
6.79193	0.232574	standard
6.79307	0.21417	standard
6.95256	0.174517	standard
6.96128	0.163216	standard
2.22573	1.0	standard
3.82789	0.999811	standard
6.76947	0.104733	standard
6.77072	0.112482	standard
6.77789	0.114215	standard
6.77893	0.124298	standard
6.79191	0.228214	standard
6.79314	0.209339	standard
6.95276	0.174101	standard
6.96099	0.163851	standard
2.22573	0.999844	standard
3.82789	1.0	standard
6.77062	0.108047	standard
6.77152	0.113344	standard
6.77697	0.111243	standard
6.77787	0.118648	standard
6.79209	0.226249	standard
6.79299	0.213525	standard
6.95365	0.171783	standard
6.96	0.16601	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

2-Methoxy-5-methylphenol

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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