| SpectraBase Spectrum ID |
2kZHeJNa9h2 |
| Name |
Benzaldehyde |
| CAS Registry Number |
100-52-7 |
| Classification |
Flavor |
| 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 |
106.041864812 u |
| Formula |
C7H6O |
| InChI |
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H |
| InChIKey |
HUMNYLRZRPPJDN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
106.124 g/mol |
| Nominal Mass |
106 u |
| Quality |
972 |
| Retention Index |
782 |
| SMILES |
C1(=CC=CC=C1)C=O |
| SPLASH |
splash10-0pb9-9600000000-40a99e29f5225413795e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
benzaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006352 |
