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1-((1S,6S)-2,2,6-trimethylcyclohexyl)but-3-en-1-one
SpectraBase Compound ID JZ7g8XIajGK
InChI InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,10,12H,1,6-9H2,2-4H3/t10-,12+/m0/s1
InChIKey YWGHYJBSPMYUGM-CMPLNLGQSA-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 Byio5HORycJ
Name 1-((1S,6S)-2,2,6-trimethylcyclohexyl)but-3-en-1-one
Classification Ketones
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 194.167065327 u
Formula C13H22O
InChI InChI=1S/C13H22O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,10,12H,1,6-9H2,2-4H3/t10-,12+/m0/s1
InChIKey YWGHYJBSPMYUGM-CMPLNLGQSA-N
Molecular Weight 194.318 g/mol
Number of Peaks 16
SMILES C1([C@]([C@](CCC1)(C)[H])(C(=O)CC=C)[H])(C)C
SPLASH splash10-016r-9800000000-22b9b3b9fb171d216e27
Source of Spectrum FF-19-124-(1S,6S)_20 (DOI: 10.1002/ffj.1280)
Wiley ID 1775342