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(2-Hydroxy-4,5-dimethylbenzoyl)formic acid

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(2-Hydroxy-4,5-dimethylbenzoyl)formic acid
SpectraBase Compound ID HQqd6cwB4pX
InChI InChI=1S/C10H10O4/c1-5-3-7(9(12)10(13)14)8(11)4-6(5)2/h3-4,11H,1-2H3,(H,13,14)
InChIKey CAQKLRUOXAIRLX-UHFFFAOYSA-N
Mol Weight 194.19 g/mol
Molecular Formula C10H10O4
Exact Mass 194.057909 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 161SgNZxD51
Name (2-Hydroxy-4,5-dimethylbenzoyl)formic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.057908798 u
Formula C10H10O4
InChI InChI=1S/C10H10O4/c1-5-3-7(9(12)10(13)14)8(11)4-6(5)2/h3-4,11H,1-2H3,(H,13,14)
InChIKey CAQKLRUOXAIRLX-UHFFFAOYSA-N
Molecular Weight 194.186 g/mol
SMILES C1(=C(C=C(C(=C1)C)C)C(C(O)=O)=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.838441