| SpectraBase Compound ID | IW7ZdgGNk5L |
|---|---|
| InChI | InChI=1S/C8H7NO2S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-5H,1H3 |
| InChIKey | FARXIDYHJAANGP-UHFFFAOYSA-N |
| Mol Weight | 181.21 g/mol |
| Molecular Formula | C8H7NO2S |
| Exact Mass | 181.01975 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IiQcDo7r56n |
|---|---|
| Name | BENZONITRILE, 4-(METHYLSULFONYL)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| 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 |
| Instrument Name | VARIAN XL-200 |
| NMR Standard | TMS |
| Solvent | CDCL3 |