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(3E)-3-(Cyclohexylmethylene)-1,7,7-trimethylbicyclo[2.2.1]-heptan-2-one
SpectraBase Compound ID 2z6yW4bwnMl
InChI InChI=1S/C17H26O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h11-12,14H,4-10H2,1-3H3/b13-11+/t14-,17+/m1/s1
InChIKey ZVLTZKDAFHLZTJ-CSYXYTOGSA-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 6N2n9TYnsWv
Name (3E)-3-(Cyclohexylmethylene)-1,7,7-trimethylbicyclo[2.2.1]-heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O
InChI InChI=1S/C17H26O/c1-16(2)14-9-10-17(16,3)15(18)13(14)11-12-7-5-4-6-8-12/h11-12,14H,4-10H2,1-3H3/b13-11+/t14-,17+/m1/s1
InChIKey ZVLTZKDAFHLZTJ-CSYXYTOGSA-N
Literature Reference DOI 10.1021/jo100763f
Molecular Weight 246.394 g/mol
SMILES CC1(C)[C@@]2(CC[C@@]1(C)C(=O)\C2=C/C1CCCCC1)[H]
SPLASH splash10-000t-1090000000-c471f0727ea584f0cc59
Source of Spectrum J-75-4375-25c
Synonyms (1S,4S,E)-3-(cyclohexylmethylene)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Wiley ID 1746600