| SpectraBase Spectrum ID |
8J0roiLldjc |
| Name |
Benzeneacetaldehyde |
| CAS Registry Number |
122-78-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
120.057514877 u |
| Formula |
C8H8O |
| InChI |
InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 |
| InChIKey |
DTUQWGWMVIHBKE-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
120.151 g/mol |
| Nominal Mass |
120 u |
| Quality |
988 |
| Retention Index |
920 |
| SMILES |
C1(CC=O)=CC=CC=C1 |
| SPLASH |
splash10-0006-9100000000-5a1dfcd01bfa76b854b5 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000219 |
