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1-[Trans-4-(3-butenyl)cyclohexyl]-trans-4-pentylcyclohexane

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

1-[Trans-4-(3-butenyl)cyclohexyl]-trans-4-pentylcyclohexane
SpectraBase Compound ID GZM4agPxl1I
InChI InChI=1S/C21H38/c1-3-5-7-9-19-12-16-21(17-13-19)20-14-10-18(11-15-20)8-6-4-2/h4,18-21H,2-3,5-17H2,1H3/t18-,19-,20-,21-
InChIKey DTEWNONTMBAKOI-IFSQOONMSA-N
Mol Weight 290.5 g/mol
Molecular Formula C21H38
Exact Mass 290.297351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7krSeRNTGmI
Name 1-[Trans-4-(3-butenyl)cyclohexyl]-trans-4-pentylcyclohexane
Comments Computed using HOSE algorithm
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Exact Mass 290.297351224 u
Formula C21H38
InChI InChI=1S/C21H38/c1-3-5-7-9-19-12-16-21(17-13-19)20-14-10-18(11-15-20)8-6-4-2/h4,18-21H,2-3,5-17H2,1H3/t18-,19-,20-,21-
InChIKey DTEWNONTMBAKOI-IFSQOONMSA-N
Molecular Weight 290.535 g/mol
SMILES [C@]1([C@]2(CC[C@@](CC2)(CCC=C)[H])[H])(CC[C@](CC1)(CCCCC)[H])[H]