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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VSUaWzHNaO
Name 3-Acetyl-5,7-dimethoxycoumarin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(Oc2c(C1)c(cc(OC)c2)OC)=O)C(=O)C
SPLASH splash10-001i-0090000000-a455ff7cdc76c6ccb13f
Source of Spectrum U1-2011-2881-5f
Synonyms 3-acetyl-5,7-dimethoxy-1-benzopyran-2-one 3-acetyl-5,7-dimethoxychromen-2-one 3-acetyl-5,7-dimethoxy-chromen-2-one 3-ethanoyl-5,7-dimethoxy-chromen-2-one
Wiley ID 1665393