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(Z)-4-(3-Oxobutylidene)-3,5,5-trimethylcyclohex-2-enone
SpectraBase Compound ID CMISIprrzMA
InChI InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h6-7H,5,8H2,1-4H3/b12-6+
InChIKey QATWEJYZQLSRAL-WUXMJOGZSA-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 I1jYLsFs3Ta
Name (Z)-4-(3-Oxobutylidene)-3,5,5-trimethylcyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h6-7H,5,8H2,1-4H3/b12-6+
InChIKey QATWEJYZQLSRAL-WUXMJOGZSA-N
Molecular Weight 206.285 g/mol
SMILES C=1(\C(C(CC(C1)=O)(C)C)=C/CC(=O)C)C
SPLASH splash10-0007-8900000000-5ba5286cfb1ec0e9ca42
Source of Spectrum KC-0-1577-7
Synonyms (4E)-3,5,5-trimethyl-4-(3-oxobutylidene)-2-cyclohexen-1-one (E)-4-(3-Oxobutylidene)-3,5,5-trimethylcyclohex-2-enone (4Z)-3,5,5-trimethyl-4-(3-oxobutylidene)-1-cyclohex-2-enone (4Z)-3,5,5-trimethyl-4-(3-oxobutylidene)cyclohex-2-en-1-one (4Z)-3,5,5-trimethyl-4-(3-oxidanylidenebutylidene)cyclohex-2-en-1-one
Wiley ID 822592