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3-trans-Acetyl-4-trans-methyl-4-cis-vinylcyclohexyl methyl ketone
SpectraBase Compound ID LeWsQm5DFqV
InChI InChI=1S/C13H20O2/c1-5-13(4)7-6-11(9(2)14)8-12(13)10(3)15/h5,11-12H,1,6-8H2,2-4H3/t11-,12-,13+/m0/s1
InChIKey ILTFVDAORICYGA-RWMBFGLXSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOi5jjhtvdg
Name 3-trans-Acetyl-4-trans-methyl-4-cis-vinylcyclohexyl methyl ketone
Alternate Name(s) 1,1'-((1S,3R,4S)-4-methyl-4-vinylcyclohexane-1,3-diyl)bis(ethan-1-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-5-13(4)7-6-11(9(2)14)8-12(13)10(3)15/h5,11-12H,1,6-8H2,2-4H3/t11-,12-,13+/m0/s1
InChIKey ILTFVDAORICYGA-RWMBFGLXSA-N
Literature Reference DOI 10.1002/hlca.19730560715
Molecular Weight 208.301 g/mol
SMILES C1[C@@](C[C@]([C@@](C1)(C=C)C)(C(C)=O)[H])(C(=O)C)[H]
SPLASH splash10-0006-9100000000-c44ee534b085c34bc914
Source of Spectrum H-56-2276-2276_1
Wiley ID 1801428