4-(2-Furyl)aniline

Simulation outputs:

	Parameter	Value
	Field strength	600.01(MHz)
	RMSD of the fit	0.01976
	Temperature	298 K
	pH	7.4
	InChI	InChI=1S/C10H9NO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H,11H2
	Note 1	None

Sample description:

Compound	Type	Concentration
4-(2-Furyl)aniline	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
13	6.551	3.167	0	0	0	0	1.517
14	0	6.646	0	0	0	0	0
15	0	0	7.574	1.5	8.729	0	0
16	0	0	0	7.574	0	8.729	0
17	0	0	0	0	6.89	1.5	0
18	0	0	0	0	0	6.89	0
19	0	0	0	0	0	0	7.531

Spectra

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

PPM	Amplitude	Peak Type
6.54918	0.503348	standard
6.55188	0.532073	standard
6.64396	0.664644	standard
6.64906	0.609975	standard
6.88271	0.983547	standard
6.89713	0.99818	standard
7.52984	0.799759	standard
7.53139	0.800121	standard
7.56739	1.00009	standard
7.58171	0.984081	standard
6.61547	0.810752	standard
6.70395	0.32361	standard
6.76327	0.47768	standard
6.9819	0.772994	standard
7.4895	1.0	standard
7.69963	0.439737	standard
6.5791	0.421141	standard
6.62645	0.538422	standard
6.67693	0.244678	standard
6.81023	0.439918	standard
6.95457	0.642344	standard
7.51467	1.0	standard
7.65409	0.442656	standard
6.56068	0.340474	standard
6.57119	0.33944	standard
6.63068	0.45206	standard
6.6687	0.244448	standard
6.83161	0.437116	standard
6.93982	0.584496	standard
7.525	1.00001	standard
7.63272	0.443985	standard
6.55917	0.332031	standard
6.56886	0.326343	standard
6.63214	0.439823	standard
6.66598	0.253408	standard
6.8386	0.449446	standard
6.93468	0.582022	standard
7.52973	1.0	standard
7.62584	0.45622	standard
6.55824	0.325871	standard
6.56664	0.317182	standard
6.63335	0.429653	standard
6.66386	0.260603	standard
6.84403	0.458147	standard
6.93044	0.578983	standard
7.53404	1.00001	standard
7.62039	0.464923	standard
6.54694	0.425935	standard
6.55444	0.500455	standard
6.63934	0.643646	standard
6.65467	0.498458	standard
6.8677	0.827741	standard
6.91086	0.935793	standard
7.53338	0.810861	standard
7.55343	1.0	standard
7.59676	0.834048	standard
6.54795	0.465704	standard
6.55323	0.521607	standard
6.64153	0.659819	standard
6.65183	0.555633	standard
6.87525	0.905323	standard
6.9041	0.982868	standard
7.52932	0.789081	standard
7.53208	0.792992	standard
7.56042	1.00011	standard
7.58917	0.90909	standard
6.54852	0.481601	standard
6.55253	0.523016	standard
6.6427	0.6599	standard
6.6504	0.580067	standard
6.87898	0.932519	standard
6.90056	0.99503	standard
7.52958	0.793582	standard
7.53168	0.794915	standard
7.56386	1.00002	standard
7.58544	0.938301	standard
6.54898	0.498709	standard
6.55206	0.53162	standard
6.64347	0.668919	standard
6.64964	0.603298	standard
6.88124	0.98168	standard
6.89851	0.999179	standard
7.52983	0.815292	standard
7.53141	0.815861	standard
7.56591	1.00002	standard
7.58322	0.981382	standard
6.54918	0.503352	standard
6.55188	0.532077	standard
6.64396	0.664644	standard
6.64906	0.609975	standard
6.88271	0.983547	standard
6.89713	0.99818	standard
7.52984	0.799762	standard
7.53139	0.800124	standard
7.56739	1.00009	standard
7.58171	0.984081	standard
6.54936	0.50452	standard
6.55166	0.52885	standard
6.64425	0.663353	standard
6.64868	0.616029	standard
6.88379	0.994676	standard
6.89605	0.996928	standard
7.52999	0.808186	standard
7.53125	0.808395	standard
7.56837	1.0003	standard
7.58073	0.996957	standard
6.54945	0.511508	standard
6.55152	0.529049	standard
6.64444	0.665155	standard
6.64848	0.621184	standard
6.88418	0.995151	standard
6.89566	0.997293	standard
7.5301	0.818463	standard
7.53114	0.818612	standard
7.56876	1.00049	standard
7.58034	0.99743	standard
6.54954	0.507784	standard
6.55156	0.52928	standard
6.64454	0.660859	standard
6.64839	0.619524	standard
6.88458	1.00042	standard
6.89537	0.99603	standard
7.52998	0.793713	standard
7.53125	0.79387	standard
7.56916	0.997669	standard
7.57995	0.994964	standard
6.54961	0.506274	standard
6.55146	0.525698	standard
6.64473	0.658814	standard
6.6482	0.621818	standard
6.88517	0.998292	standard
6.89478	1.00028	standard
7.53009	0.811132	standard
7.53104	0.811222	standard
7.56975	0.999473	standard
7.57936	1.00102	standard
6.54975	0.51778	standard
6.55133	0.535123	standard
6.64483	0.658342	standard
6.6481	0.623302	standard
6.88535	0.995179	standard
6.89448	1.00042	standard
7.53018	0.813518	standard
7.53105	0.813592	standard
7.56994	0.996231	standard
7.57906	1.0011	standard
6.5497	0.509733	standard
6.55136	0.527304	standard
6.64492	0.656451	standard
6.64801	0.623385	standard
6.88566	1.00031	standard
6.89429	0.99459	standard
7.53011	0.792598	standard
7.53112	0.792675	standard
7.57024	1.00124	standard
7.57887	0.995206	standard
6.54989	0.51077	standard
6.55113	0.514046	standard
6.64521	0.640245	standard
6.64762	0.633844	standard
6.88663	0.990412	standard
6.89331	0.993277	standard
7.53026	0.799862	standard
7.53097	0.799893	standard
7.57122	1.00176	standard
7.57779	1.00161	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:

4-(2-Furyl)aniline

Simulation outputs:

Sample description:

Spin System Matrix

Spectra

Help