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3-Acetyl-5-hydroxy-2-methyl-4H-chromen-4-one
SpectraBase Compound ID CA9StuoePxx
InChI InChI=1S/C12H10O4/c1-6(13)10-7(2)16-9-5-3-4-8(14)11(9)12(10)15/h3-5,14H,1-2H3
InChIKey TYGWPKPHYIKRRA-UHFFFAOYSA-N
Mol Weight 218.21 g/mol
Molecular Formula C12H10O4
Exact Mass 218.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHmbeUv3dAP
Name 3-Acetyl-5-hydroxy-2-methyl-4H-chromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10O4
InChI InChI=1S/C12H10O4/c1-6(13)10-7(2)16-9-5-3-4-8(14)11(9)12(10)15/h3-5,14H,1-2H3
InChIKey TYGWPKPHYIKRRA-UHFFFAOYSA-N
Instrument Name Agilent 7890A GC
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.62
Molecular Weight 218.208 g/mol
SMILES Oc1c2c(OC(=C(C(C)=O)C2=O)C)ccc1
SPLASH splash10-0uy0-2490000000-ab40320277e35189b599
Source of Spectrum BJO-14-744-24
Thin-Layer Chromatography Rf = 0.33 (hexane/ethyl acetate/toluene, 3:1:1)
Wiley ID 1845822