| SpectraBase Spectrum ID |
73hSRO3qXLJ |
| Name |
4-Chlorobenzoic acid, 2-phenylethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.060407357 u |
| Formula |
C15H13ClO2 |
| InChI |
InChI=1S/C15H13ClO2/c16-14-8-6-13(7-9-14)15(17)18-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2 |
| InChIKey |
CLORGXVHZOTBAZ-UHFFFAOYSA-N |
| Molecular Weight |
260.720 g/mol |
| SMILES |
C(COC(C1=CC=C(C=C1)Cl)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912492 |
