SpectraBase Spectrum ID |
7XAYwUFc4Kl |
Name |
Benzoic acid, (4-chloro-2-methoxyphenyl)methyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
276.055321976 u |
Formula |
C15H13ClO3 |
InChI |
InChI=1S/C15H13ClO3/c1-18-14-9-13(16)8-7-12(14)10-19-15(17)11-5-3-2-4-6-11/h2-9H,10H2,1H3 |
InChIKey |
CZPLZCFGVIJWRQ-UHFFFAOYSA-N |
SMILES |
C1=CC=C(C=C1)C(OCC1=C(C=C(Cl)C=C1)OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957984 |