3-Amino-5-ethyl-1H-pyrazole

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.02945
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C5H9N3/c1-2-4-3-5(6)8-7-4/h3H,2H2,1H3,(H3,6,7,8)
	Note 1	None

Sample description:

Compound	Type	Concentration
3-Amino-5-ethyl-1H-pyrazole	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	1.174	-14.0	-14.0	8.066	8.066	0
10	0	1.174	-14.0	8.066	8.066	0
11	0	0	1.174	8.066	8.066	0
12	0	0	0	2.561	-14.0	0
13	0	0	0	0	2.561	0
14	0	0	0	0	0	5.59

Spectra

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

PPM	Amplitude	Peak Type
1.16098	0.50953	standard
1.17441	1.00086	standard
1.18784	0.509528	standard
2.54056	0.173612	standard
2.55396	0.499835	standard
2.5674	0.504951	standard
2.58081	0.173647	standard
5.58984	0.6574	standard
0.965343	0.357262	standard
1.16781	1.0	standard
1.3561	0.671329	standard
2.27213	0.240486	standard
2.29842	0.234761	standard
2.46928	0.538443	standard
2.67287	0.413069	standard
2.86112	0.105455	standard
2.89896	0.0971563	standard
5.58984	0.85993	standard
1.03585	0.397145	standard
1.16919	1.0	standard
1.30081	0.602658	standard
2.37	0.211518	standard
2.49904	0.508769	standard
2.63354	0.431704	standard
2.76569	0.118501	standard
5.58984	0.767466	standard
1.07087	0.419713	standard
1.17105	1.00001	standard
1.27094	0.570288	standard
2.41555	0.201972	standard
2.51426	0.502432	standard
2.61479	0.443105	standard
2.71614	0.130986	standard
5.58984	0.717124	standard
1.08253	0.429949	standard
1.1717	1.0	standard
1.26076	0.562051	standard
2.43104	0.19856	standard
2.51928	0.503875	standard
2.60862	0.448667	standard
2.69868	0.135923	standard
5.58984	0.705971	standard
1.09187	0.437909	standard
1.17218	1.0	standard
1.25247	0.556548	standard
2.44352	0.196771	standard
2.52327	0.505564	standard
2.60364	0.453954	standard
2.68455	0.139946	standard
5.58984	0.696809	standard
1.1336	0.475702	standard
1.17388	1.00001	standard
1.21415	0.532526	standard
2.50106	0.186699	standard
2.54127	0.507949	standard
2.58156	0.482126	standard
2.62184	0.157676	standard
5.58984	0.66402	standard
1.14736	0.49488	standard
1.1742	1.00012	standard
1.20104	0.516967	standard
2.52065	0.177342	standard
2.54753	0.502858	standard
2.57437	0.494714	standard
2.60122	0.167823	standard
5.58984	0.66071	standard
1.15414	0.504206	standard
1.17431	1.00038	standard
1.19448	0.511265	standard
2.53055	0.17702	standard
2.55072	0.498586	standard
2.5709	0.503427	standard
2.59102	0.169983	standard
5.58984	0.659366	standard
1.15826	0.506319	standard
1.17436	1.0	standard
1.19052	0.510988	standard
2.53655	0.173271	standard
2.55269	0.496943	standard
2.56877	0.507332	standard
2.58492	0.173385	standard
5.58984	0.65844	standard
1.16098	0.509597	standard
1.17441	1.00086	standard
1.18784	0.509596	standard
2.54056	0.173636	standard
2.55396	0.499903	standard
2.5674	0.505009	standard
2.58081	0.173671	standard
5.58984	0.658192	standard
1.16286	0.509182	standard
1.17441	1.00117	standard
1.18596	0.509371	standard
2.54339	0.174052	standard
2.55488	0.500705	standard
2.56642	0.504897	standard
2.57793	0.173484	standard
5.58984	0.658388	standard
1.16365	0.509363	standard
1.17441	1.00134	standard
1.18516	0.509363	standard
2.54453	0.173396	standard
2.55527	0.503882	standard
2.56602	0.503195	standard
2.5768	0.174022	standard
5.58984	0.65856	standard
1.16435	0.509411	standard
1.17441	1.00152	standard
1.1845	0.51037	standard
2.54552	0.173362	standard
2.55558	0.502904	standard
2.56568	0.503765	standard
2.57575	0.173331	standard
5.58984	0.657527	standard
1.16546	0.510183	standard
1.17442	1.00107	standard
1.1834	0.510753	standard
2.54715	0.174126	standard
2.55616	0.501811	standard
2.56508	0.503195	standard
2.57402	0.174264	standard
5.58984	0.658829	standard
1.16596	0.50882	standard
1.17446	1.0	standard
1.18291	0.508994	standard
2.5479	0.173977	standard
2.55636	0.502436	standard
2.56488	0.502445	standard
2.57333	0.173639	standard
5.58984	0.656076	standard
1.1664	0.50865	standard
1.17446	1.0	standard
1.18251	0.508651	standard
2.54854	0.173493	standard
2.55659	0.50219	standard
2.56467	0.502594	standard
2.57273	0.173459	standard
5.58984	0.656988	standard
1.16824	0.507763	standard
1.17446	1.0	standard
1.18063	0.508006	standard
2.55132	0.173147	standard
2.55751	0.50322	standard
2.56369	0.501114	standard
2.56991	0.173804	standard
5.58984	0.655436	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:

3-Amino-5-ethyl-1H-pyrazole

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

Help