N,N,1,2-tetramethyl-1H-imidazole-4-sulfonamide
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.00938 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C7H13N3O2S/c1-6-8-7(5-10(6)4)13(11,12)9(2)3/h5H,1-4H3 | |
| Note 1 | None |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| N,N,1,2-tetramethyl-1H-imidazole-4-sulfonamide | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | 22 | 23 | 24 | 25 | 26 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 14 | 2.367 | -14.0 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 15 | 0 | 2.367 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 16 | 0 | 0 | 2.367 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 2.714 | -14.0 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 2.714 | -14.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 2.714 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 2.714 | -14.0 | -14.0 | 0 | 0 | 0 | 0 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.714 | -14.0 | 0 | 0 | 0 | 0 |
| 22 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 2.714 | 0 | 0 | 0 | 0 |
| 23 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.658 | -14.0 | -14.0 | 0 |
| 24 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.658 | -14.0 | 0 |
| 25 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 3.658 | 0 |
| 26 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.699 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.36737 | 0.500209 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500102 | standard |
| 7.69953 | 0.166502 | standard |
| 2.36739 | 0.50478 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500962 | standard |
| 7.69953 | 0.16569 | standard |
| 2.36738 | 0.502649 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500336 | standard |
| 7.69953 | 0.166252 | standard |
| 2.36737 | 0.501766 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500601 | standard |
| 7.69953 | 0.165996 | standard |
| 2.36737 | 0.501606 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500533 | standard |
| 7.69953 | 0.165966 | standard |
| 2.36737 | 0.501555 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500496 | standard |
| 7.69953 | 0.165861 | standard |
| 2.36737 | 0.500603 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.5005 | standard |
| 7.69953 | 0.166075 | standard |
| 2.36737 | 0.500128 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500367 | standard |
| 7.69953 | 0.166489 | standard |
| 2.36737 | 0.500099 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500421 | standard |
| 7.69953 | 0.166375 | standard |
| 2.36737 | 0.500031 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500707 | standard |
| 7.69953 | 0.166106 | standard |
| 2.36737 | 0.500178 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500288 | standard |
| 7.69953 | 0.166347 | standard |
| 2.36737 | 0.500417 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.499948 | standard |
| 7.69953 | 0.166425 | standard |
| 2.36737 | 0.500026 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500431 | standard |
| 7.69953 | 0.166324 | standard |
| 2.36737 | 0.500408 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500039 | standard |
| 7.69953 | 0.166327 | standard |
| 2.36737 | 0.499895 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500021 | standard |
| 7.69953 | 0.166845 | standard |
| 2.36737 | 0.500301 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500109 | standard |
| 7.69953 | 0.166346 | standard |
| 2.36737 | 0.500307 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500242 | standard |
| 7.69953 | 0.166203 | standard |
| 2.36737 | 0.500186 | standard |
| 2.71442 | 1.0 | standard |
| 3.65808 | 0.500108 | standard |
| 7.69953 | 0.166437 | standard |