| 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 | Dl7BJlL6E1A |
|---|---|
| Name | 4-Methylbenzonitrile |
| CAS Registry Number | 104-85-8 |
| Classification | Chemical |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 117.057849229 u |
| Formula | C8H7N |
| InChI | InChI=1S/C8H7N/c1-7-2-4-8(6-9)5-3-7/h2-5H,1H3 |
| InChIKey | VCZNNAKNUVJVGX-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 117.151 g/mol |
| Nominal Mass | 117 u |
| Quality | 965 |
| Retention Index | 1065 |
| SMILES | C1(=CC=C(C=C1)C)C#N |
| SPLASH | splash10-014i-9800000000-91031c617b131217c729 |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Synonyms | 4-methylbenzonitrile |
| Technique | GC/MS |
| Wiley ID | DD2024_005938 |