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(+)-(1'S,6'S,E)-1-(2',2',6'-TRIMETHYLCYCLOHEXYL)-PENT-1-EN-3-ONE
SpectraBase Compound ID tdQFZOzEBD
InChI InChI=1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,11,13H,5-7,10H2,1-4H3/b9-8+/t11-,13+/m0/s1
InChIKey HFILTWMNPDNKCT-MDQMCFMNSA-N
Mol Weight 208.34 g/mol
Molecular Formula C14H24O
Exact Mass 208.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DaQaP69bWh4
Name (1'S,6'S,E)-1-(2',2',6'-Trimethylcyclohexyl)pent-1-en-3-one
Alternate Name(s) (1E)-1-[(1S,6S)-2,2,6-trimethylcyclohexyl]-1-penten-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O
InChI InChI=1S/C14H24O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h8-9,11,13H,5-7,10H2,1-4H3/b9-8+/t11-,13+/m0/s1
InChIKey HFILTWMNPDNKCT-MDQMCFMNSA-N
Molecular Weight 208.345 g/mol
SMILES [C@]1(\C=C\C(=O)CC)(C(CCC[C@@]1(C)[H])(C)C)[H]
SPLASH splash10-0a4j-9500000000-979f0fcabb96853d147d
Source of Spectrum H-76-2085-21
Wiley ID 1207602