| SpectraBase Compound ID | 8dHhGQUEEhE |
|---|---|
| InChI | InChI=1S/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12) |
| InChIKey | BHZBRPQOYFDTAB-UHFFFAOYSA-N |
| Mol Weight | 231.04 g/mol |
| Molecular Formula | C8H7BrO3 |
| Exact Mass | 229.957857 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CT9DByqNvDN |
|---|---|
| Name | p-Bromo-dl-mandelic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.957857082 u |
| Formula | C8H7BrO3 |
| InChI | InChI=1S/C8H7BrO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12) |
| InChIKey | BHZBRPQOYFDTAB-UHFFFAOYSA-N |
| SMILES | OC(C(C1=CC=C(C=C1)Br)O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.947759 |