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3-[(E)-3-ketobut-1-enyl]-5,5-dimethyl-cyclohex-2-en-1-one
SpectraBase Compound ID 17FNoPUKVVQ
InChI InChI=1S/C12H16O2/c1-9(13)4-5-10-6-11(14)8-12(2,3)7-10/h4-6H,7-8H2,1-3H3/b5-4+
InChIKey GOWQABAYVMWZTG-SNAWJCMRSA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQb0voX64vE
Name 3-[(E)-3-ketobut-1-enyl]-5,5-dimethyl-cyclohex-2-en-1-one
Alternate Name(s) 5,5-Dimethyl-3-[(E)-3-oxidanylidenebut-1-enyl]cyclohex-2-en-1-one 5,5-Dimethyl-3-[(E)-3-oxobut-1-enyl]-1-cyclohex-2-enone 5,5-Dimethyl-3-[(E)-3-oxobut-1-enyl]cyclohex-2-en-1-one
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Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-9(13)4-5-10-6-11(14)8-12(2,3)7-10/h4-6H,7-8H2,1-3H3/b5-4+
InChIKey GOWQABAYVMWZTG-SNAWJCMRSA-N
Molecular Weight 192.258 g/mol
SMILES C1(=CC(=O)CC(C1)(C)C)\C=C\C(=O)C
SPLASH splash10-0006-7900000000-c99f3e8e482c2b206d34
Source of Spectrum U-1997-1891-20
Wiley ID 770026