Dihydrouracil

Simulation outputs:

	Parameter	Value
	Field strength	499.84(MHz)
	RMSD of the fit	0.00384
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
	Note 1	qm

Sample description:

Compound	Type	Concentration
Dihydrouracil	Solute	100mM
D2O	Solvent	100%
sodium phosphate	Buffer	50mM
sodium azide	Cytocide	500uM
DSS	Reference	500uM

Show/Hide Spin System Matrix

Spin System Matrix

	9	10	11	12
9	2.676	-16.2	6.572	6.264
10	0	2.673	5.954	9.159
11	0	0	3.445	-12.5
12	0	0	0	3.445

Spectra

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

PPM	Amplitude	Peak Type
2.66029	0.51235	standard
2.6742	0.988603	standard
2.68817	0.547488	standard
3.43081	0.548413	standard
3.44481	1.00016	standard
3.45875	0.516421	standard
2.46475	0.307304	standard
2.50448	0.347289	standard
2.6659	0.97815	standard
2.83087	0.863463	standard
3.28958	0.874301	standard
3.4513	1.0	standard
3.61411	0.34586	standard
3.65478	0.304912	standard
2.55619	0.389916	standard
2.66657	0.994595	standard
2.78011	0.789662	standard
3.33892	0.800107	standard
3.45114	1.0	standard
3.56238	0.386739	standard
2.58331	0.421111	standard
2.66882	0.996445	standard
2.75585	0.70225	standard
3.36314	0.709845	standard
3.4496	1.0	standard
3.53553	0.415866	standard
2.59358	0.431141	standard
2.66982	0.996143	standard
2.74746	0.67587	standard
3.37158	0.684911	standard
3.44876	1.00001	standard
3.5254	0.426707	standard
2.6018	0.441049	standard
2.67061	0.998128	standard
2.74056	0.657555	standard
3.37843	0.665135	standard
3.4481	1.0	standard
3.51717	0.437761	standard
2.6387	0.484139	standard
2.67341	0.991903	standard
2.70839	0.585639	standard
3.4106	0.589811	standard
3.44554	1.00001	standard
3.48034	0.481954	standard
2.65073	0.498024	standard
2.67391	0.992423	standard
2.69724	0.570463	standard
3.42174	0.571389	standard
3.44503	1.0	standard
3.46826	0.497998	standard
2.65672	0.504581	standard
2.67412	0.991691	standard
2.69159	0.557285	standard
3.42739	0.558041	standard
3.44489	1.00024	standard
3.46227	0.510593	standard
2.66029	0.512311	standard
2.6742	0.988532	standard
2.68817	0.547445	standard
3.43081	0.54838	standard
3.44481	1.00016	standard
3.4587	0.519247	standard
2.66261	0.521017	standard
2.67428	0.988306	standard
2.6859	0.546529	standard
3.43309	0.544836	standard
3.44476	1.00017	standard
3.45638	0.529836	standard
2.6643	0.513667	standard
2.67426	0.98244	standard
2.68426	0.537117	standard
3.43473	0.538331	standard
3.44472	1.00005	standard
3.45469	0.528754	standard
2.66499	0.516204	standard
2.67426	0.976081	standard
2.68362	0.536478	standard
3.43542	0.536387	standard
3.44472	1.00004	standard
3.454	0.529515	standard
2.66559	0.514303	standard
2.67429	0.971025	standard
2.68302	0.537184	standard
3.43601	0.537368	standard
3.4447	1.00067	standard
3.45345	0.533076	standard
2.64846	0.00711911	standard
2.66658	0.514362	standard
2.67429	0.986901	standard
2.68208	0.543844	standard
3.43691	0.542783	standard
3.4447	1.00072	standard
3.45246	0.538107	standard
2.64974	0.00727792	standard
2.66697	0.51024	standard
2.67429	0.985394	standard
2.68169	0.54252	standard
3.4373	0.541635	standard
3.4447	1.00067	standard
3.45202	0.540105	standard
2.65102	0.00740029	standard
2.66737	0.500841	standard
2.67429	0.968485	standard
2.68129	0.535649	standard
3.4377	0.534909	standard
3.44469	1.00149	standard
3.45167	0.529236	standard
2.65308	0.00783216	standard
2.66797	0.495986	standard
2.67429	0.962686	standard
2.6807	0.537138	standard
3.43829	0.536849	standard
3.44469	1.00167	standard
3.45103	0.534862	standard
2.65634	0.00875016	standard
2.66896	0.479725	standard
2.67432	0.930037	standard
2.6797	0.534454	standard
3.43928	0.535111	standard
3.44464	1.00007	standard
3.45003	0.531803	standard

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Guided Ideographic Spin System Model Optimization

Global links:

Web Services:

Simulation: simulation_1

External links:

Dihydrouracil

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

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