| SpectraBase Spectrum ID |
1CUwHlkXdKk |
| Name |
(2S)-2-(4-Bromophenyl)propanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
227.978592528 u |
| Formula |
C9H9BrO2 |
| InChI |
InChI=1S/C9H9BrO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)/t6-/m0/s1 |
| InChIKey |
PFDBEACWLCHWRZ-LURJTMIESA-N |
| Molecular Weight |
229.073 g/mol |
| SMILES |
C([C@](C=1C=CC(=CC1)Br)(C)[H])(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955873 |
