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3-(Difluoromethoxy)-4-methoxybenzoic acid

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3-(Difluoromethoxy)-4-methoxybenzoic acid
SpectraBase Compound ID 6yN260s72aE
InChI InChI=1S/C9H8F2O4/c1-14-6-3-2-5(8(12)13)4-7(6)15-9(10)11/h2-4,9H,1H3,(H,12,13)
InChIKey DDERGTQRHJFPCR-UHFFFAOYSA-N
Mol Weight 218.16 g/mol
Molecular Formula C9H8F2O4
Exact Mass 218.039065 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3mFf6tdQ97H
Name 3-(Difluoromethoxy)-4-methoxybenzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.039065060 u
Formula C9H8F2O4
InChI InChI=1S/C9H8F2O4/c1-14-6-3-2-5(8(12)13)4-7(6)15-9(10)11/h2-4,9H,1H3,(H,12,13)
InChIKey DDERGTQRHJFPCR-UHFFFAOYSA-N
Molecular Weight 218.156 g/mol
SMILES C(F)(F)OC1=C(C=CC(=C1)C(=O)O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971114