6-Amino-benzoxazole

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.03158
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C7H6N2O/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2
	Note 1	None

Sample description:

Compound	Type	Concentration
6-Amino-benzoxazole	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
11	6.914	8.971	1.836	0
12	0	7.554	0	0
13	0	0	7.099	0
14	0	0	0	8.233

Spectra

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

PPM	Amplitude	Peak Type
6.90544	0.307702	standard
6.90814	0.310148	standard
6.9203	0.32425	standard
6.92301	0.321921	standard
7.09736	0.618803	standard
7.10006	0.618801	standard
7.54659	0.517679	standard
7.56156	0.494597	standard
8.23285	1.0	standard
6.76415	0.204229	standard
6.80198	0.246409	standard
7.02601	0.642763	standard
7.08052	0.82627	standard
7.46272	0.65266	standard
7.68333	0.338216	standard
8.23285	1.0	standard
6.81778	0.234086	standard
6.84382	0.271661	standard
6.96749	0.355259	standard
6.99268	0.463794	standard
7.08627	0.708093	standard
7.11162	0.568723	standard
7.48837	0.61522	standard
7.63675	0.392935	standard
8.23285	1.0	standard
6.84339	0.251324	standard
6.86312	0.283859	standard
6.95531	0.345242	standard
6.97501	0.413607	standard
7.08909	0.681182	standard
7.1088	0.583065	standard
7.50301	0.593988	standard
7.61465	0.424816	standard
8.23285	1.0	standard
6.85163	0.256907	standard
6.86938	0.287545	standard
6.95116	0.341966	standard
6.96881	0.399455	standard
7.09009	0.671825	standard
7.10775	0.585783	standard
7.50811	0.584506	standard
7.60746	0.433332	standard
8.23285	1.0	standard
6.85829	0.262338	standard
6.87422	0.29105	standard
6.94783	0.340059	standard
6.9637	0.389355	standard
7.09097	0.665733	standard
7.10683	0.589311	standard
7.51233	0.576709	standard
7.60181	0.440097	standard
8.23285	1.0	standard
6.88704	0.28623	standard
6.89515	0.304302	standard
6.93184	0.32837	standard
6.93996	0.347887	standard
7.09474	0.639767	standard
7.10278	0.602776	standard
7.53231	0.541277	standard
7.57713	0.472256	standard
8.23285	1.0	standard
6.89633	0.295289	standard
6.90175	0.308733	standard
6.92616	0.324765	standard
6.93158	0.336181	standard
7.09602	0.631687	standard
7.10143	0.60705	standard
7.53935	0.529468	standard
7.56924	0.483258	standard
8.23285	1.0	standard
6.90089	0.301048	standard
6.90489	0.31184	standard
6.92329	0.324014	standard
6.92729	0.331663	standard
7.09675	0.630396	standard
7.10074	0.612108	standard
7.54292	0.523602	standard
7.56533	0.489001	standard
8.23285	1.0	standard
6.90359	0.306764	standard
6.90682	0.309137	standard
6.92154	0.322267	standard
6.92476	0.327818	standard
7.09709	0.62386	standard
7.10031	0.616114	standard
7.5451	0.519981	standard
7.56305	0.492358	standard
8.23285	1.0	standard
6.90544	0.307703	standard
6.90814	0.31015	standard
6.9203	0.324252	standard
6.92301	0.321923	standard
7.09736	0.618806	standard
7.10006	0.618804	standard
7.54659	0.51768	standard
7.56156	0.494597	standard
8.23285	1.0	standard
6.9067	0.315657	standard
6.90895	0.314326	standard
6.91948	0.316614	standard
6.92186	0.318004	standard
7.09752	0.615575	standard
7.0999	0.615573	standard
7.54758	0.511037	standard
7.56047	0.501121	standard
8.23285	1.0	standard
6.90718	0.313929	standard
6.90937	0.316329	standard
6.91919	0.320369	standard
6.92125	0.31811	standard
7.09761	0.617216	standard
7.0998	0.617216	standard
7.54807	0.506212	standard
7.55997	0.506211	standard
8.23285	1.0	standard
6.90767	0.315835	standard
6.90967	0.31817	standard
6.91887	0.318174	standard
6.92087	0.31584	standard
7.09771	0.620978	standard
7.09971	0.620977	standard
7.54837	0.506156	standard
7.55958	0.506156	standard
8.23285	1.0	standard
6.90846	0.318124	standard
6.91017	0.32038	standard
6.91835	0.315537	standard
6.9202	0.313119	standard
7.09779	0.615639	standard
7.09963	0.615638	standard
7.54897	0.506087	standard
7.55898	0.506087	standard
8.23285	1.0	standard
6.90875	0.317837	standard
6.91038	0.320104	standard
6.91816	0.320106	standard
6.91979	0.31784	standard
7.09789	0.624916	standard
7.09952	0.624916	standard
7.54926	0.506173	standard
7.55868	0.506172	standard
8.23285	1.0	standard
6.90904	0.318115	standard
6.91058	0.320365	standard
6.91795	0.315012	standard
6.91962	0.312582	standard
7.09787	0.614595	standard
7.09954	0.614594	standard
7.54946	0.506072	standard
7.55849	0.506072	standard
8.23285	1.0	standard
6.91019	0.310029	standard
6.91152	0.312569	standard
6.91714	0.319229	standard
6.91834	0.316928	standard
7.09816	0.623101	standard
7.09936	0.623101	standard
7.55055	0.506243	standard
7.55739	0.506243	standard
8.23285	1.0	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

6-Amino-benzoxazole

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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