| SpectraBase Compound ID | 1pnd5m6atNq |
|---|---|
| InChI | InChI=1S/C8H7NO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,1H3 |
| InChIKey | SLNZDFDPYBTIHA-UHFFFAOYSA-N |
| Mol Weight | 181.21 g/mol |
| Molecular Formula | C8H7NO2S |
| Exact Mass | 181.01975 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JX9HW2vCc6M |
|---|---|
| Name | 2-(Methylsulfonyl)benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NO2S |
| InChI | InChI=1S/C8H7NO2S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5H,1H3 |
| InChIKey | SLNZDFDPYBTIHA-UHFFFAOYSA-N |
| Molecular Weight | 181.209 g/mol |
| SMILES | c1(S(=O)(=O)C)c(C#N)cccc1 |
| SPLASH | splash10-0gb9-3900000000-72bc493d3b89d62ceb0a |
| Source of Spectrum | G-61-740-9 |
| Synonyms | 2-Mesylbenzonitrile 2-Methylsulfonylbenzenecarbonitrile |
| Wiley ID | 748981 |