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Methyl 7-methoxycoumarin-4-acetate

View entire compound with spectra: 1 NMR, and 1 FTIR

Methyl 7-methoxycoumarin-4-acetate
SpectraBase Compound ID 7stcv81F3xO
InChI InChI=1S/C13H12O5/c1-16-9-3-4-10-8(5-12(14)17-2)6-13(15)18-11(10)7-9/h3-4,6-7H,5H2,1-2H3
InChIKey IEMSTXMWFNGNTK-UHFFFAOYSA-N
Mol Weight 248.23 g/mol
Molecular Formula C13H12O5
Exact Mass 248.068473 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GQmnXJN2bZk
Name Methyl 7-methoxycoumarin-4-acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.068473481 u
Formula C13H12O5
InChI InChI=1S/C13H12O5/c1-16-9-3-4-10-8(5-12(14)17-2)6-13(15)18-11(10)7-9/h3-4,6-7H,5H2,1-2H3
InChIKey IEMSTXMWFNGNTK-UHFFFAOYSA-N
Molecular Weight 248.234 g/mol
SMILES C1(=CC(=O)OC2=C1C=CC(=C2)OC)CC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.979881