3-Hydroxy-2-methyl-4-pyrone

Simulation outputs:

	Parameter	Value
	Field strength	400.13(MHz)
	RMSD of the fit	0.00764
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C6H6O3/c1-4-6(8)5(7)2-3-9-4/h2-3,8H,1H3
	Note 1	13?14

Sample description:

Compound	Type	Concentration
3-hydroxy-2-methyl-4-pyrone	Solute	Saturated1
CDCl3	Solvent	100%
TMS	Reference	0.5%

Show/Hide Spin System Matrix

Spin System Matrix

	10	11	12	13	14
10	2.373	-14.9	-14.9	0	0
11	0	2.373	-14.9	0	0
12	0	0	2.373	0	0
13	0	0	0	6.426	5.173
14	0	0	0	0	7.711

Spectra

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

PPM	Amplitude	Peak Type
2.37283	1.0	standard
6.41965	0.172619	standard
6.43261	0.172621	standard
7.7049	0.172683	standard
7.71776	0.172708	standard
2.37283	1.0	standard
6.35844	0.156643	standard
6.48744	0.188877	standard
7.64997	0.188867	standard
7.77897	0.156643	standard
2.37283	1.0	standard
6.38177	0.161936	standard
6.46773	0.182578	standard
7.66977	0.183268	standard
7.75574	0.161252	standard
2.37283	1.0	standard
6.39314	0.164905	standard
6.45764	0.180961	standard
7.67987	0.180864	standard
7.74437	0.164894	standard
2.37283	1.0	standard
6.3969	0.166094	standard
6.45418	0.179053	standard
7.68323	0.179253	standard
7.74061	0.165967	standard
2.37283	1.0	standard
6.39986	0.166709	standard
6.45141	0.17782	standard
7.686	0.178545	standard
7.73764	0.165563	standard
2.37283	1.0	standard
6.41312	0.171838	standard
6.43894	0.173469	standard
7.69857	0.17351	standard
7.72429	0.171886	standard
2.37283	1.0	standard
6.41747	0.172602	standard
6.43468	0.172664	standard
7.70273	0.172601	standard
7.71994	0.171251	standard
2.37283	1.0	standard
6.41965	0.17262	standard
6.43261	0.172624	standard
7.7049	0.172708	standard
7.71776	0.172713	standard
2.37283	1.0	standard
6.42093	0.172594	standard
6.43132	0.172493	standard
7.70619	0.172706	standard
7.71648	0.172594	standard
2.37283	1.0	standard
6.42182	0.172578	standard
6.43043	0.172435	standard
7.70698	0.172666	standard
7.71559	0.172611	standard
2.37283	1.0	standard
6.42242	0.172433	standard
6.42984	0.172584	standard
7.70757	0.172451	standard
7.71499	0.172587	standard
2.37283	1.0	standard
6.42271	0.172721	standard
6.42954	0.171709	standard
7.70787	0.172721	standard
7.7147	0.171709	standard
2.37283	1.0	standard
6.42291	0.172606	standard
6.42934	0.172706	standard
7.70807	0.172705	standard
7.7145	0.172603	standard
2.37283	1.0	standard
6.42331	0.172527	standard
6.42904	0.172635	standard
7.70846	0.17149	standard
7.7142	0.171316	standard
2.37283	1.0	standard
6.42341	0.172597	standard
6.42885	0.172365	standard
7.70856	0.172354	standard
7.714	0.172626	standard
2.37283	1.0	standard
6.4236	0.172673	standard
6.42875	0.171754	standard
7.70876	0.172618	standard
7.71391	0.171655	standard
2.37283	1.0	standard
6.4238	0.171454	standard
6.42845	0.171676	standard
7.70896	0.172021	standard
7.71361	0.172694	standard
2.37283	1.0	standard
6.4242	0.171716	standard
6.42815	0.171782	standard
7.70935	0.171028	standard
7.71331	0.172065	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

3-Hydroxy-2-methyl-4-pyrone

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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