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4,6,6-trimethyl-5-(1-oxobutyl)-1-cyclohexa-2,4-dienone
SpectraBase Compound ID LtuHYlVjwAW
InChI InChI=1S/C13H18O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h7-8H,5-6H2,1-4H3
InChIKey WWNSBYUZVQAZEO-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44dmTAOIOxY
Name 4,6,6-trimethyl-5-(1-oxobutyl)-1-cyclohexa-2,4-dienone
Alternate Name(s) 5-Butanoyl-4,6,6-trimethyl-cyclohexa-2,4-dien-1-one 5-Butyryl-4,6,6-trimethyl-cyclohexa-2,4-dien-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-5-6-10(14)12-9(2)7-8-11(15)13(12,3)4/h7-8H,5-6H2,1-4H3
InChIKey WWNSBYUZVQAZEO-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES C=1(C(C(=O)C=CC1C)(C)C)C(=O)CCC
SPLASH splash10-000l-6900000000-eefd6aaf24b9a8c4707e
Source of Spectrum H-56-2028-0
Wiley ID 846866