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3,5,5-Trimethyl-3-(oct-1-en-3-yn-1-yl)cyclohexanone
SpectraBase Compound ID KVm5oTYeiEo
InChI InChI=1S/C17H26O/c1-5-6-7-8-9-10-11-17(4)13-15(18)12-16(2,3)14-17/h10-11H,5-7,12-14H2,1-4H3/b11-10+
InChIKey LUMTVBGGXVVPOD-ZHACJKMWSA-N
Mol Weight 246.39 g/mol
Molecular Formula C17H26O
Exact Mass 246.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DIzotMiZCPG
Name 3,5,5-Trimethyl-3-(oct-1-en-3-yn-1-yl)cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O
InChI InChI=1S/C17H26O/c1-5-6-7-8-9-10-11-17(4)13-15(18)12-16(2,3)14-17/h10-11H,5-7,12-14H2,1-4H3/b11-10+
InChIKey LUMTVBGGXVVPOD-ZHACJKMWSA-N
Molecular Weight 246.394 g/mol
SMILES C(#CCCCC)\C=C\C1(CC(C)(C)CC(C1)=O)C
SPLASH splash10-07gj-1910000000-a08c2084ac1355627911
Source of Spectrum AT-40-5117-7
Synonyms 3,3,5-trimethyl-5-[(1E)-1-octen-3-ynyl]cyclohexanone
Wiley ID 854587