| SpectraBase Spectrum ID |
EhXdNYe4mcs |
| Name |
benzonitrile, 4-[(2-pyrimidinylthio)methyl]- |
| Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
227.051718476 u |
| Formula |
C12H9N3S |
| InChI |
InChI=1S/C12H9N3S/c13-8-10-2-4-11(5-3-10)9-16-12-14-6-1-7-15-12/h1-7H,9H2 |
| InChIKey |
QRKRVNMWQKOMQD-UHFFFAOYSA-N |
| Molecular Weight |
227.285 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_9883 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9263581; Lab Info: LP; Lab Number: LP-2190865 |
![benzonitrile, 4-[(2-pyrimidinylthio)methyl]-](/api/spectrum/EhXdNYe4mcs/structure.png?h=300&w=458 "benzonitrile, 4-[(2-pyrimidinylthio)methyl]-")
