For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-
SpectraBase Compound ID G0vqUeoz59P
InChI InChI=1S/C12H16O4/c1-6(2)4-9(14)11-10(15)5-8(13)7(3)12(11)16/h5-6,13,15-16H,4H2,1-3H3
InChIKey AQGJJVVGIDQMHX-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID A52lYabH7w2
Name 1-Butanone, 3-methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-
Alternate Name(s) 3-Methyl-1-(2,4,6-trihydroxy-3-methylphenyl)-1-butanone 2-Methyl-4-isovalerylphloroglucinol 3-Methyl-1-(2,4,6-trihydroxy-3-methyl-phenyl)butan-1-one 3-Methyl-1-[3-methyl-2,4,6-tris(oxidanyl)phenyl]butan-1-one
CAS Registry Number 49583-27-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c1-6(2)4-9(14)11-10(15)5-8(13)7(3)12(11)16/h5-6,13,15-16H,4H2,1-3H3
InChIKey AQGJJVVGIDQMHX-UHFFFAOYSA-N
Molecular Weight 224.256 g/mol
SMILES Oc1c(c(cc(c1C)O)O)C(CC(C)C)=O
SPLASH splash10-014i-5920000000-2b633d380c36f0c8f756
Source of Spectrum H-56-1136-3
Wiley ID 1224920