| SpectraBase Spectrum ID |
G3VHwCfNPG5 |
| Name |
(2S)-1-(4-Chlorophenyl)-2-hydroxy-1-propanone |
| 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(11)9(12)7-2-4-8(10)5-3-7/h2-6,11H,1H3/t6-/m0/s1 |
| InChIKey |
MRBCYWADGWRLRL-LURJTMIESA-N |
| Molecular Weight |
184.622 g/mol |
| SMILES |
C(C1=CC=C(C=C1)Cl)(=O)[C@@](O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954757 |
