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5-Methoxycoumarin-3-carboxylic acid
SpectraBase Compound ID Imf4Rub5Nnd
InChI InChI=1S/C11H8O5/c1-15-8-3-2-4-9-6(8)5-7(10(12)13)11(14)16-9/h2-5H,1H3,(H,12,13)
InChIKey WWMUWCJDRURRHP-UHFFFAOYSA-N
Mol Weight 220.18 g/mol
Molecular Formula C11H8O5
Exact Mass 220.037173 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4wDotC4VgK8
Name 5-Methoxycoumarin-3-carboxylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.037173353 u
Formula C11H8O5
InChI InChI=1S/C11H8O5/c1-15-8-3-2-4-9-6(8)5-7(10(12)13)11(14)16-9/h2-5H,1H3,(H,12,13)
InChIKey WWMUWCJDRURRHP-UHFFFAOYSA-N
Molecular Weight 220.180 g/mol
SMILES C=1(C(OC2=C(C1)C(OC)=CC=C2)=O)C(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986717