John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2DYaaoaFRnS SpectraBase Spectrum ID=2AmcuZjpJRv

(accessed ).
(+)-(1'S,3'S,6'S)-1-(2',2',3',6'-TETRAMETHYLCYCLOHEXYL)-PENT-1-EN-3-ONE
SpectraBase Compound ID 2DYaaoaFRnS
InChI InChI=1S/C15H26O/c1-6-13(16)9-10-14-11(2)7-8-12(3)15(14,4)5/h9-12,14H,6-8H2,1-5H3/b10-9+/t11-,12-,14+/m0/s1
InChIKey LZZUMCKOGQWFKG-BOWBEZPNSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2AmcuZjpJRv
Name (+)-(1'S,3'S,6'S)-1-(2',2',3',6'-TETRAMETHYLCYCLOHEXYL)-PENT-1-EN-3-ONE
Compound Number 21D
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H26O
InChI InChI=1S/C15H26O/c1-6-13(16)9-10-14-11(2)7-8-12(3)15(14,4)5/h9-12,14H,6-8H2,1-5H3/b10-9+/t11-,12-,14+/m0/s1
InChIKey LZZUMCKOGQWFKG-BOWBEZPNSA-N
Literature Reference Author C.CHAPUIS,R.BRAUCHLI
Literature Reference Citation HELV.CHIM.ACTA,76,2070(1993)
Literature Reference DOI 10.1002/hlca.19930760521
Molecular Weight 222.371 g/mol
Solvent Unknown
Source File Reference UWRK1123
SpectraBase Batch ID IQEzMIjHSGo