| SpectraBase Compound ID | Ar6zsJF1d2z |
|---|---|
| InChI | InChI=1S/C8H8N2O2S/c1-13(11,12)8-3-2-6(5-9)4-7(8)10/h2-4H,10H2,1H3 |
| InChIKey | BXNFCNDOPWCHTK-UHFFFAOYSA-N |
| Mol Weight | 196.22 g/mol |
| Molecular Formula | C8H8N2O2S |
| Exact Mass | 196.030649 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LjW6VhFGnej |
|---|---|
| Name | 3-Amino-4-(methylsulfonyl)benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H8N2O2S |
| InChI | InChI=1S/C8H8N2O2S/c1-13(11,12)8-3-2-6(5-9)4-7(8)10/h2-4H,10H2,1H3 |
| InChIKey | BXNFCNDOPWCHTK-UHFFFAOYSA-N |
| Molecular Weight | 196.224 g/mol |
| SMILES | Nc1cc(ccc1S(C)(=O)=O)C#N |
| SPLASH | splash10-00l2-3900000000-dcc8b99f5585cfdb5b6d |
| Source of Spectrum | UY-2018-492-0 |
| Wiley ID | 1808777 |