| SpectraBase Spectrum ID |
H6sz0MvBTFO |
| Name |
(2S)-2-(3-Chlorophenyl)propanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
184.029107228 u |
| Formula |
C9H9ClO2 |
| InChI |
InChI=1S/C9H9ClO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H,11,12)/t6-/m0/s1 |
| InChIKey |
YRUBJDXEYFCYCX-LURJTMIESA-N |
| Molecular Weight |
184.622 g/mol |
| SMILES |
C([C@](C=1C=C(Cl)C=CC1)(C)[H])(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904803 |
