| SpectraBase Spectrum ID |
GHNqeKb4ZnB |
| Name |
3-Bromobenzoic acid |
| CAS Registry Number |
272-49-1 |
| Classification |
Chemical |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
199.947292399 u |
| Formula |
C7H5BrO2 |
| InChI |
InChI=1S/C7H5BrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10) |
| InChIKey |
VOIZNVUXCQLQHS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
201.019 g/mol |
| Nominal Mass |
200 u |
| Quality |
1000 |
| Retention Index |
1425 |
| SMILES |
OC(C=1C=C(C=CC1)Br)=O |
| SPLASH |
splash10-0udi-5890000000-e86e22739be9ae2e3a6e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-bromobenzoic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_024281 |
