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Trans-1-(3-methoxypropyl)-4-(trans-4-pentylcyclohexyl)cyclohexane

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

Trans-1-(3-methoxypropyl)-4-(trans-4-pentylcyclohexyl)cyclohexane
SpectraBase Compound ID EgBchBXpLx4
InChI InChI=1S/C21H40O/c1-3-4-5-7-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-6-17-22-2/h18-21H,3-17H2,1-2H3/t18-,19-,20-,21-
InChIKey YPPQHOSLRITBID-IFSQOONMSA-N
Mol Weight 308.6 g/mol
Molecular Formula C21H40O
Exact Mass 308.307916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dQJNZnPHty
Name Trans-1-(3-methoxypropyl)-4-(trans-4-pentylcyclohexyl)cyclohexane
Comments Computed using HOSE algorithm
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Exact Mass 308.307915907 u
Formula C21H40O
InChI InChI=1S/C21H40O/c1-3-4-5-7-18-9-13-20(14-10-18)21-15-11-19(12-16-21)8-6-17-22-2/h18-21H,3-17H2,1-2H3/t18-,19-,20-,21-
InChIKey YPPQHOSLRITBID-IFSQOONMSA-N
Molecular Weight 308.550 g/mol
SMILES [C@]1([C@]2(CC[C@@](CC2)(CCCOC)[H])[H])(CC[C@](CC1)(CCCCC)[H])[H]