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6-Methyl-2-oxo-2H-chromene-3-carboxylic acid

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

6-Methyl-2-oxo-2H-chromene-3-carboxylic acid
SpectraBase Compound ID 9zdJnH6PiHg
InChI InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)
InChIKey FJICLQQBBFWGMZ-UHFFFAOYSA-N
Mol Weight 204.18 g/mol
Molecular Formula C11H8O4
Exact Mass 204.042259 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1tSny0uJ3PQ
Name 6-Methyl-2-oxo-2H-chromene-3-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.042258734 u
Formula C11H8O4
InChI InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)5-8(10(12)13)11(14)15-9/h2-5H,1H3,(H,12,13)
InChIKey FJICLQQBBFWGMZ-UHFFFAOYSA-N
Molecular Weight 204.181 g/mol
SMILES C(O)(=O)C1=CC2=C(OC1=O)C=CC(=C2)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853746