2-Amino-1-methylbenzimidazole
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.02332 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C8H9N3/c1-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3,(H2,9,10) | |
| Note 1 | 15,16?17,18 | |
| Note 2 | approx coupling fit aromatics |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2-Amino-1-methylbenzimidazole | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 12 | 13 | 14 | 15 | 16 | 17 | 18 | |
|---|---|---|---|---|---|---|---|
| 12 | 3.617 | -14.0 | -14.0 | 0 | 0 | 0 | 0 |
| 13 | 0 | 3.617 | -14.0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 3.617 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 7.288 | 7.0 | 7.401 | 0 |
| 16 | 0 | 0 | 0 | 0 | 7.288 | 0 | 7.401 |
| 17 | 0 | 0 | 0 | 0 | 0 | 7.391 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 7.391 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.61692 | 1.0 | standard |
| 7.28418 | 0.28948 | standard |
| 7.29143 | 0.321957 | standard |
| 7.3875 | 0.322002 | standard |
| 7.39474 | 0.289707 | standard |
| 3.61692 | 0.899713 | standard |
| 7.33946 | 1.0 | standard |
| 3.61692 | 1.0 | standard |
| 7.33943 | 0.893696 | standard |
| 3.61692 | 1.0 | standard |
| 7.32569 | 0.683658 | standard |
| 7.35322 | 0.683553 | standard |
| 3.61692 | 1.0 | standard |
| 7.32203 | 0.60614 | standard |
| 7.35685 | 0.606306 | standard |
| 3.61692 | 1.0 | standard |
| 7.31824 | 0.539234 | standard |
| 7.36067 | 0.538901 | standard |
| 3.61692 | 1.0 | standard |
| 7.30033 | 0.364229 | standard |
| 7.37858 | 0.36431 | standard |
| 3.61692 | 1.0 | standard |
| 7.28073 | 0.272257 | standard |
| 7.29584 | 0.339325 | standard |
| 7.38308 | 0.338868 | standard |
| 7.39807 | 0.273004 | standard |
| 3.61692 | 1.0 | standard |
| 7.28243 | 0.281554 | standard |
| 7.29353 | 0.330874 | standard |
| 7.38535 | 0.329959 | standard |
| 7.39639 | 0.281246 | standard |
| 3.61692 | 1.0 | standard |
| 7.28352 | 0.285546 | standard |
| 7.29229 | 0.325439 | standard |
| 7.38671 | 0.324782 | standard |
| 7.3953 | 0.286675 | standard |
| 3.61692 | 1.0 | standard |
| 7.28418 | 0.289643 | standard |
| 7.29143 | 0.321991 | standard |
| 7.3875 | 0.321944 | standard |
| 7.39474 | 0.289702 | standard |
| 3.61692 | 1.0 | standard |
| 7.2847 | 0.292208 | standard |
| 7.29082 | 0.319621 | standard |
| 7.38811 | 0.319642 | standard |
| 7.39422 | 0.292266 | standard |
| 3.61692 | 1.0 | standard |
| 7.28492 | 0.293074 | standard |
| 7.29052 | 0.317029 | standard |
| 7.38831 | 0.320115 | standard |
| 7.39401 | 0.292864 | standard |
| 3.61692 | 1.0 | standard |
| 7.28505 | 0.294543 | standard |
| 7.29034 | 0.316923 | standard |
| 7.38849 | 0.320358 | standard |
| 7.39388 | 0.294163 | standard |
| 3.61692 | 1.0 | standard |
| 7.2854 | 0.294858 | standard |
| 7.29006 | 0.31801 | standard |
| 7.38886 | 0.315436 | standard |
| 7.39365 | 0.297121 | standard |
| 3.61692 | 1.0 | standard |
| 7.28551 | 0.293753 | standard |
| 7.28998 | 0.318028 | standard |
| 7.38903 | 0.313644 | standard |
| 7.39353 | 0.296923 | standard |
| 3.61692 | 1.0 | standard |
| 7.28561 | 0.296276 | standard |
| 7.28981 | 0.317592 | standard |
| 7.38909 | 0.314307 | standard |
| 7.39342 | 0.296809 | standard |
| 3.61692 | 1.0 | standard |
| 7.286 | 0.300039 | standard |
| 7.28933 | 0.315589 | standard |
| 7.38973 | 0.310704 | standard |
| 7.39277 | 0.296745 | standard |