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1-Butanone, 1-(5-acetyl-2-hydroxyphenyl)-3-methyl-
SpectraBase Compound ID GHi6U2lAfhn
InChI InChI=1S/C13H16O3/c1-8(2)6-13(16)11-7-10(9(3)14)4-5-12(11)15/h4-5,7-8,15H,6H2,1-3H3
InChIKey SXPHHWILAWXFLE-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JfNMI5Ums0R
Name 1-Butanone, 1-(5-acetyl-2-hydroxyphenyl)-3-methyl-
CAS Registry Number 62458-64-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-8(2)6-13(16)11-7-10(9(3)14)4-5-12(11)15/h4-5,7-8,15H,6H2,1-3H3
InChIKey SXPHHWILAWXFLE-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES Oc1c(C(CC(C)C)=O)cc(C(=O)C)cc1
SPLASH splash10-03di-0960000000-4c7ec238688da0ae6d09
Source of Spectrum K-110-300-0
Synonyms 1-(5-acetyl-2-hydroxyphenyl)-3-methyl-1-butanone 1-(5-acetyl-2-hydroxyphenyl)-3-methylbutan-1-one 1-(5-Ethanoyl-2-oxidanyl-phenyl)-3-methyl-butan-1-one
Wiley ID 1219865