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(2R,5S)-5-[(E)-Hex-1-enyl]-2-methylcylohexanone
SpectraBase Compound ID 8PExMBqFuVB
InChI InChI=1S/C13H22O/c1-3-4-5-6-7-12-9-8-11(2)13(14)10-12/h6-7,11-12H,3-5,8-10H2,1-2H3/b7-6+/t11-,12+/m1/s1
InChIKey UXOFBNQVXPOFPX-JIVBQCDMSA-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 JUOChjhmn5B
Name (2R,5S)-5-[(E)-Hex-1-enyl]-2-methylcylohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-3-4-5-6-7-12-9-8-11(2)13(14)10-12/h6-7,11-12H,3-5,8-10H2,1-2H3/b7-6+/t11-,12+/m1/s1
InChIKey UXOFBNQVXPOFPX-JIVBQCDMSA-N
Molecular Weight 194.318 g/mol
SMILES C1(C[C@@](\C=C\CCCC)(CC[C@]1(C)[H])[H])=O
SPLASH splash10-0awc-9400000000-b48cc0676aec87de2be2
Source of Spectrum U1-2009-1729-11a
Wiley ID 1662741