| SpectraBase Spectrum ID |
5WaC9or7LyC |
| Name |
2-Bromobenzoic acid |
| CAS Registry Number |
88-65-3 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (one 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 |
199.947292399 u |
| Formula |
C7H5BrO2 |
| InChI |
InChI=1S/C7H5BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10) |
| InChIKey |
XRXMNWGCKISMOH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
201.019 g/mol |
| Nominal Mass |
200 u |
| Quality |
959 |
| Retention Index |
1459 |
| SMILES |
OC(C=1C(=CC=CC1)Br)=O |
| SPLASH |
splash10-0udi-5960000000-36f90e61de15ec0d4481 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Benzoic acid,2-bromo- |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024279 |
