| SpectraBase Compound ID | 2GwSpeDRKaM |
|---|---|
| InChI | InChI=1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11) |
| InChIKey | PAJSESFUWIYFNF-UHFFFAOYSA-N |
| Mol Weight | 217.02 g/mol |
| Molecular Formula | C7H5BrO3 |
| Exact Mass | 215.942207 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 55IN945KQPV |
|---|---|
| Name | Benzoic acid, 4-bromo-3-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.942207018 u |
| Formula | C7H5BrO3 |
| InChI | InChI=1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11) |
| InChIKey | PAJSESFUWIYFNF-UHFFFAOYSA-N |
| Molecular Weight | 217.018 g/mol |
| SMILES | C1=C(C(=CC=C1C(O)=O)Br)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989177 |