| SpectraBase Spectrum ID |
JG26H92nQOG |
| Name |
Benzyl cyanide |
| CAS Registry Number |
140-29-4 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (four 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/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| InChIKey |
SUSQOBVLVYHIEX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
117.151 g/mol |
| Nominal Mass |
117 u |
| Quality |
1000 |
| Retention Index |
901 |
| SMILES |
C1(=CC=CC=C1)CC#N |
| SPLASH |
splash10-014i-9700000000-1286505e5a677a7bdaca |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Phenylacetonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018524 |
