2-Hydroxy-4-methylpyridine

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.02177
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H7NO/c1-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
	Note 1	None

Sample description:

Compound	Type	Concentration
2-Hydroxy-4-methylpyridine	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
9	2.273	-14.0	-14.0	0	0	0
10	0	2.273	-14.0	0	0	0
11	0	0	2.273	0	0	0
12	0	0	0	6.488	7.376	1.647
13	0	0	0	0	7.426	0
14	0	0	0	0	0	6.467

Spectra

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

PPM	Amplitude	Peak Type
2.27344	1.0	standard
6.46586	0.202392	standard
6.46801	0.233952	standard
6.48068	0.124874	standard
6.48288	0.104469	standard
6.49302	0.118794	standard
6.49512	0.106638	standard
7.41998	0.169409	standard
7.43222	0.169558	standard
2.27344	1.0	standard
6.40921	0.171272	standard
6.45287	0.251725	standard
6.48025	0.246084	standard
6.55455	0.181155	standard
7.33892	0.182626	standard
7.42811	0.0428761	standard
7.53096	0.123086	standard
2.27344	1.0	standard
6.45613	0.271265	standard
6.53438	0.164932	standard
7.36595	0.171221	standard
7.44903	0.0390991	standard
7.49412	0.131058	standard
2.27344	1.0	standard
6.4574	0.302582	standard
6.5236	0.155534	standard
7.38014	0.164124	standard
7.47644	0.134054	standard
2.27344	1.0	standard
6.45802	0.323382	standard
6.51985	0.152057	standard
7.38503	0.161157	standard
7.47061	0.134445	standard
2.27344	1.0	standard
6.45915	0.344341	standard
6.51677	0.149079	standard
7.38896	0.158019	standard
7.466	0.134175	standard
2.27344	1.0	standard
6.46837	0.435023	standard
6.50272	0.132966	standard
7.40887	0.149999	standard
7.44394	0.141581	standard
2.27344	1.0	standard
6.46926	0.304743	standard
6.49787	0.124852	standard
6.50227	0.104495	standard
7.41422	0.167371	standard
7.43822	0.164111	standard
2.27344	1.0	standard
6.46855	0.253651	standard
6.47699	0.150651	standard
6.49546	0.121545	standard
6.49864	0.10519	standard
7.41705	0.168625	standard
7.43529	0.168627	standard
2.27344	1.0	standard
6.4657	0.200526	standard
6.46819	0.240266	standard
6.47928	0.132577	standard
6.49391	0.118556	standard
6.49668	0.103916	standard
7.41879	0.169293	standard
7.43346	0.169275	standard
2.27344	1.0	standard
6.46586	0.202395	standard
6.46801	0.233953	standard
6.48068	0.124875	standard
6.48288	0.10447	standard
6.49302	0.118795	standard
6.49512	0.106639	standard
7.41998	0.169409	standard
7.43222	0.169558	standard
2.27344	1.0	standard
6.46595	0.202165	standard
6.46788	0.229188	standard
6.48176	0.121039	standard
6.48369	0.104999	standard
6.49231	0.118109	standard
6.49409	0.107312	standard
7.42082	0.169617	standard
7.43133	0.169617	standard
2.27344	1.0	standard
6.46604	0.204519	standard
6.46778	0.229029	standard
6.48216	0.120313	standard
6.4839	0.106087	standard
6.49199	0.116848	standard
6.49375	0.106275	standard
7.42122	0.169662	standard
7.43098	0.169428	standard
2.27344	1.0	standard
6.46612	0.205761	standard
6.46773	0.228109	standard
6.48255	0.118691	standard
6.48425	0.105522	standard
6.49179	0.117602	standard
6.49334	0.107885	standard
7.42151	0.169664	standard
7.43068	0.169399	standard
2.27344	1.0	standard
6.46617	0.205331	standard
6.46765	0.224987	standard
6.48313	0.116494	standard
6.48469	0.105107	standard
6.49138	0.116566	standard
6.49279	0.107443	standard
7.42201	0.169696	standard
7.43014	0.169695	standard
2.27344	1.0	standard
6.46627	0.20849	standard
6.4676	0.226983	standard
6.48344	0.117888	standard
6.48477	0.107973	standard
6.49118	0.116439	standard
6.49251	0.107807	standard
7.42221	0.169633	standard
7.42994	0.169676	standard
2.27344	1.0	standard
6.46623	0.204435	standard
6.46762	0.222946	standard
6.48362	0.115687	standard
6.48502	0.105979	standard
6.49096	0.114609	standard
6.49235	0.105718	standard
7.42241	0.169796	standard
7.42974	0.169796	standard
2.27344	1.0	standard
6.46638	0.206694	standard
6.46744	0.220562	standard
6.4846	0.113715	standard
6.48566	0.106996	standard
6.49036	0.116554	standard
6.49127	0.109981	standard
7.4232	0.16959	standard
7.42895	0.16959	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

2-Hydroxy-4-methylpyridine

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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