| SpectraBase Spectrum ID |
B1aC8wDm9S4 |
| Name |
2-Methyl-benzonitrile |
| CAS Registry Number |
529-19-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
117.057849229 u |
| Formula |
C8H7N |
| InChI |
InChI=1S/C8H7N/c1-7-4-2-3-5-8(7)6-9/h2-5H,1H3 |
| InChIKey |
NWPNXBQSRGKSJB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
117.151 g/mol |
| Nominal Mass |
117 u |
| Quality |
988 |
| Retention Index |
901 |
| SMILES |
C1(=C(C=CC=C1)C)C#N |
| SPLASH |
splash10-014i-7900000000-16c140dbdcfab38738c6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzonitrile,2-methyl-
2-Methylbenzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002093 |
