N-(2-furylmethyl)thiourea
Simulation outputs:
|
Parameter | Value |
| Field strength | 600.01(MHz) | |
| RMSD of the fit | 0.10522 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C6H8N2OS/c7-6(10)8-4-5-2-1-3-9-5/h1-3H,4H2,(H3,7,8,10) | |
| Note 1 | 11?12?13 | |
| Note 2 | 14,15 weak | |
| Note 3 | all lines broad |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| N-(2-furylmethyl)thiourea | Solute | 75uM |
| DSS | Reference | 15uM |
| bis-Tris-d19 | Buffer | 11mM |
| NaCl | . | 150mM |
| NaN3 | . | 0.04%. |
| Na Formate | . | 200uM |
Spin System Matrix
| 11 | 12 | 13 | 14 | 15 | |
|---|---|---|---|---|---|
| 11 | 6.358 | 7.85 | 1.51 | 0 | 0 |
| 12 | 0 | 6.431 | 1.5 | 0 | 0 |
| 13 | 0 | 0 | 7.484 | 0 | 0 |
| 14 | 0 | 0 | 0 | 4.394 | -14.0 |
| 15 | 0 | 0 | 0 | 0 | 4.394 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 4.39365 | 1.0 | standard |
| 6.36305 | 0.35829 | standard |
| 6.42655 | 0.358695 | standard |
| 7.48352 | 0.478962 | standard |
| 4.3937 | 1.0 | standard |
| 6.39528 | 0.95911 | standard |
| 7.48236 | 0.490751 | standard |
| 4.39367 | 1.0 | standard |
| 6.39485 | 0.923903 | standard |
| 7.4834 | 0.484243 | standard |
| 4.39366 | 1.0 | standard |
| 6.39468 | 0.877416 | standard |
| 7.48368 | 0.482008 | standard |
| 4.39365 | 1.0 | standard |
| 6.39472 | 0.849066 | standard |
| 7.48365 | 0.481495 | standard |
| 4.39365 | 1.0 | standard |
| 6.39476 | 0.818291 | standard |
| 7.48363 | 0.48116 | standard |
| 4.39365 | 1.0 | standard |
| 6.37533 | 0.502794 | standard |
| 6.4143 | 0.503089 | standard |
| 7.48355 | 0.479884 | standard |
| 4.39365 | 1.0 | standard |
| 6.36821 | 0.414759 | standard |
| 6.42146 | 0.414772 | standard |
| 7.48355 | 0.479496 | standard |
| 4.39365 | 1.0 | standard |
| 6.36558 | 0.383247 | standard |
| 6.42409 | 0.383256 | standard |
| 7.4835 | 0.479282 | standard |
| 4.39365 | 1.0 | standard |
| 6.36403 | 0.367761 | standard |
| 6.42557 | 0.367881 | standard |
| 7.48352 | 0.479112 | standard |
| 4.39365 | 1.0 | standard |
| 6.36305 | 0.358293 | standard |
| 6.42655 | 0.358698 | standard |
| 7.48352 | 0.478963 | standard |
| 4.39365 | 1.0 | standard |
| 6.36234 | 0.352501 | standard |
| 6.42733 | 0.352505 | standard |
| 7.48352 | 0.479575 | standard |
| 4.39365 | 1.0 | standard |
| 6.36208 | 0.350507 | standard |
| 6.42758 | 0.35051 | standard |
| 7.48352 | 0.478752 | standard |
| 4.39365 | 1.0 | standard |
| 6.36187 | 0.348234 | standard |
| 6.4278 | 0.348237 | standard |
| 7.4835 | 0.479195 | standard |
| 4.39365 | 1.0 | standard |
| 6.3555 | 0.310514 | standard |
| 6.36143 | 0.344991 | standard |
| 6.42823 | 0.344993 | standard |
| 6.43416 | 0.310517 | standard |
| 7.4835 | 0.478937 | standard |
| 4.39365 | 1.0 | standard |
| 6.3556 | 0.311748 | standard |
| 6.36121 | 0.344233 | standard |
| 6.42846 | 0.344235 | standard |
| 6.43407 | 0.31175 | standard |
| 7.4835 | 0.479186 | standard |
| 4.39365 | 1.0 | standard |
| 6.35565 | 0.311891 | standard |
| 6.36109 | 0.342991 | standard |
| 6.42857 | 0.342993 | standard |
| 6.43402 | 0.311893 | standard |
| 7.4835 | 0.479684 | standard |
| 4.39365 | 1.0 | standard |
| 6.35606 | 0.313398 | standard |
| 6.36038 | 0.337387 | standard |
| 6.4293 | 0.33818 | standard |
| 6.43356 | 0.315215 | standard |
| 7.48352 | 0.479786 | standard |