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3-Phenylacetylpyrone
SpectraBase Compound ID GPZYLzevoj5
InChI InChI=1S/C13H10O3/c14-12(9-10-5-2-1-3-6-10)11-7-4-8-16-13(11)15/h1-8H,9H2
InChIKey KQWOAADPWJUDTF-UHFFFAOYSA-N
Mol Weight 214.22 g/mol
Molecular Formula C13H10O3
Exact Mass 214.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHgHxDpo5NI
Name 3-Phenylacetylpyrone
Comments Note: The molecular formula of the structure shown is C13H10O3 - which differs from the formula reported for the mass spectrum (C19H17NO5)
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Formula C19H17NO5
InChI InChI=1S/C13H10O3/c14-12(9-10-5-2-1-3-6-10)11-7-4-8-16-13(11)15/h1-8H,9H2
InChIKey KQWOAADPWJUDTF-UHFFFAOYSA-N
Molecular Weight 214.220 g/mol
SMILES c1(ccccc1)CC(=O)C=1C(OC=CC1)=O
SPLASH splash10-0006-9141000000-3f6c13beda2e52451de9
Source of Spectrum H1-42-791-5
Wiley ID 757516