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4'-cyanobiphenylyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate
SpectraBase Compound ID CR04Dk43kZ7
InChI InChI=1S/C27H31NO2/c1-2-3-4-13-26-14-17-27(18-15-26,19-16-26)25(29)30-24-11-9-23(10-12-24)22-7-5-21(20-28)6-8-22/h5-12H,2-4,13-19H2,1H3
InChIKey OQCCXULSCSKBBR-UHFFFAOYSA-N
Mol Weight 401.55 g/mol
Molecular Formula C27H31NO2
Exact Mass 401.235479 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BdCr0EIg8g3
Name 4'-cyanobiphenylyl 4-pentylbicyclo[2.2.2]octane-1-carboxylate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H31NO2
InChI InChI=1S/C27H31NO2/c1-2-3-4-13-26-14-17-27(18-15-26,19-16-26)25(29)30-24-11-9-23(10-12-24)22-7-5-21(20-28)6-8-22/h5-12H,2-4,13-19H2,1H3
InChIKey OQCCXULSCSKBBR-UHFFFAOYSA-N
Instrument Name Bruker AM-300
NMR Standard DMSO-d5 1H
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CCl4/DMSO-d6