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Trans-1-(4-methoxybutyl)-4-(trans-4-pentylcyclohexyl)cyclohexane

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

Trans-1-(4-methoxybutyl)-4-(trans-4-pentylcyclohexyl)cyclohexane
SpectraBase Compound ID K6XuEpYFgp0
InChI InChI=1S/C22H42O/c1-3-4-5-8-19-10-14-21(15-11-19)22-16-12-20(13-17-22)9-6-7-18-23-2/h19-22H,3-18H2,1-2H3/t19-,20-,21-,22-
InChIKey HBVAWMMGZYSIOT-CHDDOINTSA-N
Mol Weight 322.6 g/mol
Molecular Formula C22H42O
Exact Mass 322.323566 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FrDc4uzbivV
Name Trans-1-(4-methoxybutyl)-4-(trans-4-pentylcyclohexyl)cyclohexane
Comments Computed using HOSE algorithm
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Exact Mass 322.323565971 u
Formula C22H42O
InChI InChI=1S/C22H42O/c1-3-4-5-8-19-10-14-21(15-11-19)22-16-12-20(13-17-22)9-6-7-18-23-2/h19-22H,3-18H2,1-2H3/t19-,20-,21-,22-
InChIKey HBVAWMMGZYSIOT-CHDDOINTSA-N
Molecular Weight 322.577 g/mol
SMILES [C@]1([C@]2(CC[C@@](CC2)(CCCCOC)[H])[H])(CC[C@](CC1)(CCCCC)[H])[H]