| SpectraBase Spectrum ID |
98cFNqbzsje |
| Name |
Ethyl 4-chloro-3-hydroxy-3-phenylbutanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
242.070972040 u |
| Formula |
C12H15ClO3 |
| InChI |
InChI=1S/C12H15ClO3/c1-2-16-11(14)8-12(15,9-13)10-6-4-3-5-7-10/h3-7,15H,2,8-9H2,1H3 |
| InChIKey |
PMMHDCRSARYSQT-UHFFFAOYSA-N |
| Molecular Weight |
242.702 g/mol |
| SMILES |
C(C(C=1C=CC=CC1)(O)CCl)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872486 |
