| SpectraBase Spectrum ID |
GWuLcvGfSrY |
| Name |
(4-Methylsulfonyl)benzonitrile |
| Classification |
Chemical |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
181.019749641 u |
| Formula |
C8H7NO2S |
| InChI |
InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,1H3 |
| InChIKey |
FARXIDYHJAANGP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
181.209 g/mol |
| Nominal Mass |
181 u |
| Quality |
941 |
| Retention Index |
1548 |
| SMILES |
C=1(S(=O)(=O)C)C=CC(=CC1)C#N |
| SPLASH |
splash10-0ufr-9100000000-9149b2bb4838782f5072 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(methylsulfonyl)benzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005356 |
