| SpectraBase Spectrum ID |
4AUSnQKwHQ |
| Name |
Benzoic acid |
| CAS Registry Number |
65-85-0 |
| Classification |
Chemical, preservative |
| Comments |
Spectrum verified by crosschecking against external libraries (seven reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
122.036779431 u |
| Formula |
C7H6O2 |
| InChI |
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9) |
| InChIKey |
WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
122.123 g/mol |
| Nominal Mass |
122 u |
| Quality |
999 |
| Retention Index |
1180 |
| SMILES |
OC(C=1C=CC=CC1)=O |
| SPLASH |
splash10-0adi-8900000000-6e38d89f80417fe33466 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
benzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031203 |
