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(E)-4-(3-Oxobutylidene)-3,5,5-trimethylcyclohex-2-enone
SpectraBase Compound ID 31Lt5At1HQH
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-SDQBBNPISA-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 K0RHl3wJp3Y
Name (E)-4-(3-Oxobutylidene)-3,5,5-trimethylcyclohex-2-enone
Alternate Name(s) (4E)-3,5,5-trimethyl-4-(3-oxobutylidene)-2-cyclohexen-1-one (Z)-4-(3-Oxobutylidene)-3,5,5-trimethylcyclohex-2-enone
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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-SDQBBNPISA-N
Molecular Weight 206.285 g/mol
SMILES C=1(\C(C(CC(C1)=O)(C)C)=C\CC(=O)C)C
SPLASH splash10-0007-7900000000-171d4d6c06259bc4fa0c
Source of Spectrum KC-0-1577-7
Wiley ID 822593