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4-(2,6,6-trimethyl-1-cyclohexenyl)butan-2-one
SpectraBase Compound ID 9yxRmHaihIs
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
InChIKey QJJDNZGPQDGNDX-UHFFFAOYSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fm3u9bCBCDF
Name 2-Butanone, 4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS Registry Number 17283-81-7
Comments Note: The molecular formula of the structure shown is C13H22O - which differs from the formula reported for the mass spectrum (C13H21DO)
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Formula C13H21DO
InChI InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
InChIKey QJJDNZGPQDGNDX-UHFFFAOYSA-N
Molecular Weight 194.318 g/mol
SMILES C(=O)(C)CCC1=C(C)CCCC1(C)C
SPLASH splash10-00dl-9800000000-2b4fa1a490837aa0c5e7
Synonyms .alpha.,.beta.-Dihydro-.beta.-ionone 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone .beta.-Ionone, dihydro- 4-(2,6,6-Trimethyl-1-cyclohexenyl)-2-butanone 4-(2,6,6-Trimethyl-cyclohex-1-enyl)-butan-2-one 4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one 7,8-Dihydro-.beta.-ionone Dihydro-.beta.-ionone
Wiley ID 1483776