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3-Acetyl-5,7-dimethoxycoumarin

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

3-Acetyl-5,7-dimethoxycoumarin
SpectraBase Compound ID 816uNuTWUbO
InChI InChI=1S/C13H12O5/c1-7(14)9-6-10-11(17-3)4-8(16-2)5-12(10)18-13(9)15/h4-6H,1-3H3
InChIKey VOPLTTRBWKQQOW-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 BTNXGHITfOS
Name 3-Acetyl-5,7-dimethoxycoumarin
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/c1-7(14)9-6-10-11(17-3)4-8(16-2)5-12(10)18-13(9)15/h4-6H,1-3H3
InChIKey VOPLTTRBWKQQOW-UHFFFAOYSA-N
Molecular Weight 248.234 g/mol
SMILES C=1(C(OC2=C(C1)C(=CC(OC)=C2)OC)=O)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.818533