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2-Propanone, 1-[2-acetyl-1-methyl-4-(1-methylethenyl)cyclohexyl]-, [1S-(1.alpha.,2.alpha.,4.beta.)]-
SpectraBase Compound ID HJxHrAM5055
InChI InChI=1S/C15H24O2/c1-10(2)13-6-7-15(5,9-11(3)16)14(8-13)12(4)17/h13-14H,1,6-9H2,2-5H3/t13-,14-,15-/m0/s1
InChIKey GUPNGXMHNIGRCF-KKUMJFAQSA-N
Mol Weight 236.35 g/mol
Molecular Formula C15H24O2
Exact Mass 236.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EolVydSSN9
Name 2-Propanone, 1-[2-acetyl-1-methyl-4-(1-methylethenyl)cyclohexyl]-, [1S-(1.alpha.,2.alpha.,4.beta.)]-
CAS Registry Number 111939-11-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H24O2
InChI InChI=1S/C15H24O2/c1-10(2)13-6-7-15(5,9-11(3)16)14(8-13)12(4)17/h13-14H,1,6-9H2,2-5H3/t13-,14-,15-/m0/s1
InChIKey GUPNGXMHNIGRCF-KKUMJFAQSA-N
Molecular Weight 236.355 g/mol
SMILES [C@]1([C@@](C[C@](CC1)(C(=C)C)[H])(C(=O)C)[H])(CC(=O)C)C
SPLASH splash10-0006-9100000000-af0c209fb7cf43184e92
Source of Spectrum F-43-3204-0
Synonyms (1S,2S,4R)-1-methyl-1-acetonyl-4-isopropenyl-cyclohexane 1-[(1S,2R,4S)-2-acetyl-4-isopropenyl-1-methylcyclohexyl]acetone
Wiley ID 1238688