| 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 | 8XEuusjC9Pd |
|---|---|
| Name | 4-Methylbenzonitirle |
| 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 | c1c(ccc(c1)C#N)C |
| SPLASH | splash10-014i-4900000000-80b4d40ac8132c237446 |
| Source of Spectrum | QA-51-625-4m |
| Synonyms | 4-Methylbenzonitrile |
| Wiley ID | 1797755 |