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(+)-(1'S,6'S,E)-1-(2',2',6'-TRIMETHYLCYCLOHEXYL)-HEX-1-EN-3-ONE
SpectraBase Compound ID 98x6sfIFTnu
InChI InChI=1S/C15H26O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h9-10,12,14H,5-8,11H2,1-4H3/b10-9+/t12-,14+/m0/s1
InChIKey DFKHQLOANKRDRK-JMRXXTBOSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rqW6C5NP4z
Name (1'S,6'S,E)-1-(2',2',6'-Trimethylcyclohexyl)hex-1-en-3-one
Alternate Name(s) 1-Hexen-3-one, 1-(2,2,6-trimethylcyclohexyl)-, [1.alpha.(E),6.alpha.]- (1E)-1-(trans-2,2,6-trimethylcyclohexyl)-1-hexen-3-on (1E)-1-[(1S,6S)-2,2,6-trimethylcyclohexyl]-1-hexen-3-one
CAS Registry Number 106249-31-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
InChI InChI=1S/C15H26O/c1-5-7-13(16)9-10-14-12(2)8-6-11-15(14,3)4/h9-10,12,14H,5-8,11H2,1-4H3/b10-9+/t12-,14+/m0/s1
InChIKey DFKHQLOANKRDRK-JMRXXTBOSA-N
Molecular Weight 222.372 g/mol
SMILES [C@]1(\C=C\C(=O)CCC)(C(CCC[C@@]1(C)[H])(C)C)[H]
SPLASH splash10-0006-9100000000-80629c6701036a6a0ad4
Source of Spectrum H-68-1970-0
Wiley ID 1223438