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Benzoic acid, (4-chloro-2-methoxyphenyl)methyl ester
SpectraBase Compound ID 7LwmoqWkxQJ
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
Mol Weight 276.72 g/mol
Molecular Formula C15H13ClO3
Exact Mass 276.055322 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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