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1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)-
SpectraBase Compound ID K5UWCVbq5TS
InChI InChI=1S/C12H16O4/c1-3-4-5-8(13)11-10(15)6-9(14)7(2)12(11)16/h6,14-16H,3-5H2,1-2H3
InChIKey ADLPRNVMRYJZQL-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXkNFiZedzD
Name 1-Pentanone, 1-(2,4,6-trihydroxy-3-methylphenyl)-
CAS Registry Number 49583-26-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-3-4-5-8(13)11-10(15)6-9(14)7(2)12(11)16/h6,14-16H,3-5H2,1-2H3
InChIKey ADLPRNVMRYJZQL-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES Oc1c(c(cc(c1C)O)O)C(CCCC)=O
SPLASH splash10-014i-4910000000-412c29de605db313d015
Source of Spectrum H-56-1135-2
Synonyms 1-(2,4,6-Trihydroxy-3-methylphenyl)-1-pentanone 1-(2,4,6-trihydroxy-3-methyl-phenyl)pentan-1-one 1-[3-methyl-2,4,6-tris(oxidanyl)phenyl]pentan-1-one 2-Methyl-4-valerylphloroglucin
Wiley ID 1224918