| SpectraBase Spectrum ID |
Dlh7qtNv9RA |
| Name |
p-Ethylbenzonitrile |
| CAS Registry Number |
34136-57-7 |
| 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/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3 |
| InChIKey |
SXFFMFAQNAFSLF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
131.178 g/mol |
| Nominal Mass |
131 u |
| Quality |
984 |
| Retention Index |
1174 |
| SMILES |
C1(=CC=C(C=C1)CC)C#N |
| SPLASH |
splash10-014i-4900000000-3fffdff2c3e7548c8bf1 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-ethylbenzonitrile |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005937 |
