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3-Chloro-6-methoxy-2-methylbenzoic acid methyl ester

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

3-Chloro-6-methoxy-2-methylbenzoic acid methyl ester
SpectraBase Compound ID IEniiQsBObJ
InChI InChI=1S/C10H11ClO3/c1-6-7(11)4-5-8(13-2)9(6)10(12)14-3/h4-5H,1-3H3
InChIKey AFBITCHHQZAABC-UHFFFAOYSA-N
Mol Weight 214.65 g/mol
Molecular Formula C10H11ClO3
Exact Mass 214.039672 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8A2GQkBcLCJ
Name 3-Chloro-6-methoxy-2-methylbenzoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 214.039671911 u
Formula C10H11ClO3
InChI InChI=1S/C10H11ClO3/c1-6-7(11)4-5-8(13-2)9(6)10(12)14-3/h4-5H,1-3H3
InChIKey AFBITCHHQZAABC-UHFFFAOYSA-N
Molecular Weight 214.648 g/mol
SMILES C1(Cl)=C(C)C(C(OC)=O)=C(C=C1)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947283