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4-Dichloromethylbenzoic acid, ethyl ester

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

4-Dichloromethylbenzoic acid, ethyl ester
SpectraBase Compound ID 6z7dZuJ1XEd
InChI InChI=1S/C10H10Cl2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6,9H,2H2,1H3
InChIKey FUJDLJRHXNIJBU-UHFFFAOYSA-N
Mol Weight 233.09 g/mol
Molecular Formula C10H10Cl2O2
Exact Mass 232.005785 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 77am1c2w8bd
Name 4-Dichloromethylbenzoic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.005784960 u
Formula C10H10Cl2O2
InChI InChI=1S/C10H10Cl2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6,9H,2H2,1H3
InChIKey FUJDLJRHXNIJBU-UHFFFAOYSA-N
Molecular Weight 233.094 g/mol
SMILES C(Cl)(C1=CC=C(C(OCC)=O)C=C1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933365