6-Methyl-2H-chromen-2-one

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.01836
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C10H8O2/c1-7-2-4-9-8(6-7)3-5-10(11)12-9/h2-6H,1H3
	Note 1	17?19
	Note 2	16?18

Sample description:

Compound	Type	Concentration
6-Methyl-2H-chromen-2-one	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

	13	14	15	16	17	18	19	20
13	2.406	-14.0	-14.0	0	0	0	0	0
14	0	2.406	-14.0	0	0	0	0	0
15	0	0	2.406	0	0	0	0	0
16	0	0	0	7.51	0	8.371	0	1.545
17	0	0	0	0	8.016	0	10.157	0
18	0	0	0	0	0	7.344	0	0
19	0	0	0	0	0	0	6.493	0
20	0	0	0	0	0	0	0	7.513

Spectra

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

PPM	Amplitude	Peak Type
2.40596	1.0	standard
6.4842	0.168299	standard
6.50116	0.168299	standard
7.3363	0.140763	standard
7.35071	0.16822	standard
7.50422	0.146977	standard
7.51433	0.290576	standard
8.00731	0.168306	standard
8.02426	0.168305	standard
2.40596	1.0	standard
6.35529	0.141851	standard
6.60916	0.196152	standard
7.1854	0.0422701	standard
7.40332	0.366445	standard
7.47079	0.378414	standard
7.49476	0.379262	standard
7.65128	0.0497241	standard
7.89927	0.198766	standard
8.15316	0.14264	standard
2.40596	1.0	standard
6.40338	0.150543	standard
6.57266	0.186528	standard
7.2465	0.0618174	standard
7.39039	0.285176	standard
7.47545	0.290531	standard
7.50276	0.314752	standard
7.59533	0.0679662	standard
7.9358	0.187392	standard
8.10508	0.151018	standard
2.40596	1.0	standard
6.42659	0.155322	standard
6.55352	0.181324	standard
7.27485	0.0769696	standard
7.38266	0.253866	standard
7.48009	0.251192	standard
7.5057	0.287508	standard
7.56974	0.0837879	standard
7.95494	0.182024	standard
8.08188	0.155388	standard
2.40596	1.0	standard
6.43422	0.156768	standard
6.54708	0.180035	standard
7.28375	0.083284	standard
7.37957	0.243062	standard
7.48208	0.238517	standard
7.50664	0.279284	standard
7.56169	0.0904143	standard
7.96139	0.180391	standard
8.07424	0.156983	standard
2.40596	1.0	standard
6.44027	0.157845	standard
6.54182	0.178907	standard
7.29077	0.0887972	standard
7.37698	0.234006	standard
7.48395	0.228587	standard
7.50733	0.272963	standard
7.55552	0.096226	standard
7.96665	0.17919	standard
8.06819	0.158022	standard
2.40596	1.0	standard
6.46695	0.164726	standard
6.51772	0.171836	standard
7.31967	0.119266	standard
7.34154	0.0352155	standard
7.3628	0.196261	standard
7.49458	0.18392	standard
7.51055	0.249721	standard
7.51539	0.242468	standard
7.53007	0.13311	standard
7.99075	0.171964	standard
8.04152	0.164683	standard
2.40596	1.0	standard
6.47557	0.167379	standard
6.50949	0.169101	standard
7.32828	0.130066	standard
7.34477	0.0320003	standard
7.35705	0.183154	standard
7.49913	0.16715	standard
7.51175	0.24295	standard
7.51491	0.250343	standard
7.5226	0.156032	standard
7.99898	0.169205	standard
8.03289	0.167324	standard
2.40596	1.0	standard
6.47994	0.168279	standard
6.50532	0.168279	standard
7.33233	0.135843	standard
7.34018	0.030059	standard
7.35398	0.176339	standard
7.50162	0.157536	standard
7.51455	0.259343	standard
7.51903	0.178182	standard
8.00314	0.168294	standard
8.02853	0.168292	standard
2.40596	1.0	standard
6.48252	0.168271	standard
6.50284	0.16826	standard
7.33476	0.138887	standard
7.35205	0.171557	standard
7.50322	0.151812	standard
7.5144	0.272457	standard
8.00562	0.168281	standard
8.02595	0.168269	standard
2.40596	1.0	standard
6.4842	0.168265	standard
6.50116	0.168265	standard
7.3363	0.140726	standard
7.35071	0.168191	standard
7.50422	0.14695	standard
7.51433	0.290519	standard
8.00731	0.168272	standard
8.02426	0.168271	standard
2.40596	1.0	standard
6.48539	0.168254	standard
6.49997	0.168132	standard
7.3374	0.140398	standard
7.34981	0.163666	standard
7.50501	0.143776	standard
7.51426	0.315763	standard
8.0085	0.16828	standard
8.02298	0.168158	standard
2.40596	1.0	standard
6.48589	0.168259	standard
6.49947	0.168257	standard
7.33784	0.14168	standard
7.34941	0.161464	standard
7.50532	0.141838	standard
7.51421	0.331015	standard
8.00899	0.168264	standard
8.02258	0.168261	standard
2.40596	1.0	standard
6.48638	0.16827	standard
6.49908	0.168269	standard
7.3382	0.139385	standard
7.34911	0.159335	standard
7.50561	0.141683	standard
7.51409	0.346972	standard
8.00939	0.168274	standard
8.02208	0.168273	standard
2.40596	1.0	standard
6.48708	0.168261	standard
6.49838	0.168082	standard
7.33885	0.139665	standard
7.34849	0.154932	standard
7.50613	0.13738	standard
7.51391	0.378764	standard
8.01008	0.168265	standard
8.02139	0.168083	standard
2.40596	1.0	standard
6.48737	0.16825	standard
6.49808	0.168085	standard
7.33912	0.136677	standard
7.34828	0.152713	standard
7.50633	0.136498	standard
7.51384	0.391681	standard
8.01038	0.168252	standard
8.02109	0.168087	standard
2.40596	1.0	standard
6.48767	0.168279	standard
6.49779	0.168279	standard
7.33934	0.135487	standard
7.34807	0.150532	standard
7.50641	0.137715	standard
7.51368	0.406217	standard
8.01068	0.168281	standard
8.02079	0.168281	standard
2.40596	1.0	standard
6.48876	0.168262	standard
6.4966	0.168247	standard
7.34065	0.136175	standard
7.34686	0.144419	standard
7.50723	0.13164	standard
7.51323	0.435878	standard
8.01187	0.168304	standard
8.0196	0.168288	standard

View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks View GSD Peaks

Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

6-Methyl-2H-chromen-2-one

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

Help