| SpectraBase Spectrum ID |
JEaYZLgpZke |
| Name |
Benzonitrile |
| CAS Registry Number |
100-47-0 |
| Classification |
Solvent |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
103.042199165 u |
| Formula |
C7H5N |
| InChI |
InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H |
| InChIKey |
JFDZBHWFFUWGJE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
103.124 g/mol |
| Nominal Mass |
103 u |
| Quality |
995 |
| Retention Index |
800 |
| SMILES |
C1(=CC=CC=C1)C#N |
| SPLASH |
splash10-0udi-7900000000-f45f82a317930f1b54b0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_018552 |
