| SpectraBase Spectrum ID |
GT9WwbJCu0U |
| Name |
4-Methylbenzyl cyanide |
| CAS Registry Number |
2947-61-7 |
| Classification |
Chemical |
| 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 |
131.073499294 u |
| Formula |
C9H9N |
| InChI |
InChI=1S/C9H9N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3 |
| InChIKey |
RNHKXHKUKJXLAU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
131.178 g/mol |
| Nominal Mass |
131 u |
| Quality |
948 |
| Retention Index |
1001 |
| SMILES |
C1(=CC=C(C=C1)C)CC#N |
| SPLASH |
splash10-0frx-9500000000-85d7ae4cdb67ada8faf7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(4-methylphenyl)acetonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005692 |
