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3-Chloro-4,6-dimethoxy-2-methylbenzoic acid

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3-Chloro-4,6-dimethoxy-2-methylbenzoic acid
SpectraBase Compound ID AVf4s6So6CW
InChI InChI=1S/C10H11ClO4/c1-5-8(10(12)13)6(14-2)4-7(15-3)9(5)11/h4H,1-3H3,(H,12,13)
InChIKey XXMFQMHQAYDKOX-UHFFFAOYSA-N
Mol Weight 230.65 g/mol
Molecular Formula C10H11ClO4
Exact Mass 230.034587 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JaP4eFr1v8f
Name 3-Chloro-4,6-dimethoxy-2-methylbenzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.034586530 u
Formula C10H11ClO4
InChI InChI=1S/C10H11ClO4/c1-5-8(10(12)13)6(14-2)4-7(15-3)9(5)11/h4H,1-3H3,(H,12,13)
InChIKey XXMFQMHQAYDKOX-UHFFFAOYSA-N
Molecular Weight 230.647 g/mol
SMILES C(C=1C(=CC(=C(C1C)Cl)OC)OC)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928167