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Cumarin-3-carboxylic acid, 7-methoxy-

View entire compound with spectra: 1 NMR, 1 FTIR, and 4 MS (GC)

Cumarin-3-carboxylic acid, 7-methoxy-
SpectraBase Compound ID LB8aAquWdYV
InChI InChI=1S/C11H8O5/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13)
InChIKey VEEGNDSSWAOLFN-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 C1o2qhtUIdZ
Name Cumarin-3-carboxylic acid, 7-methoxy-
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/c1-15-7-3-2-6-4-8(10(12)13)11(14)16-9(6)5-7/h2-5H,1H3,(H,12,13)
InChIKey VEEGNDSSWAOLFN-UHFFFAOYSA-N
Molecular Weight 220.180 g/mol
SMILES C12=CC(=CC=C2C=C(C(O1)=O)C(O)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.986697