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3-(3-Methyl-1-oxobut-2-enyl)-1-benzopyran-2-one
SpectraBase Compound ID 4K7d554nN0v
InChI InChI=1S/C14H12O3/c1-9(2)7-12(15)11-8-10-5-3-4-6-13(10)17-14(11)16/h3-8H,1-2H3
InChIKey ODFXFLFIFFEAFX-UHFFFAOYSA-N
Mol Weight 228.25 g/mol
Molecular Formula C14H12O3
Exact Mass 228.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDCiAbS5VzO
Name 3-(3-Methyl-1-oxobut-2-enyl)-1-benzopyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12O3
InChI InChI=1S/C14H12O3/c1-9(2)7-12(15)11-8-10-5-3-4-6-13(10)17-14(11)16/h3-8H,1-2H3
InChIKey ODFXFLFIFFEAFX-UHFFFAOYSA-N
Molecular Weight 228.247 g/mol
SMILES C=1(C(Oc2c(C1)cccc2)=O)C(C=C(C)C)=O
SPLASH splash10-00b9-2790000000-370958b2adf0f9b30238
Source of Spectrum SO-0-860-4
Synonyms 3-(3-Methyl-2-butenoyl)-2H-chromen-2-one 3-(3-Methylbut-2-enoyl)chromen-2-one 3-(3-Methylbut-2-enoyl)coumarin
Wiley ID 1538256