| SpectraBase Compound ID | 4VyKFUd5bdC |
|---|---|
| InChI | InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3 |
| InChIKey | VCZNNAKNUVJVGX-UHFFFAOYSA-N |
| Mol Weight | 117.15 g/mol |
| Molecular Formula | C8H7N |
| Exact Mass | 117.057849 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1K5tBpNGBF5 |
|---|---|
| Name | p-Toluonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7N |
| InChI | InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3 |
| InChIKey | VCZNNAKNUVJVGX-UHFFFAOYSA-N |
| Molecular Weight | 117.151 g/mol |
| SMILES | c1(ccc(cc1)C)C#N |
| SPLASH | splash10-014i-5900000000-e53ac40676a148bfc7a8 |
| Source of Spectrum | F-71-3799-2_17 |
| Synonyms | 4-Methylbenzonitrile |
| Wiley ID | 1805761 |