For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Trans-(2-(4-cyanophenyl)-5-pyrimidinyl)-4-hexylcyclohexane-1-carboxylate

View entire compound with spectra: 1 NMR

Trans-(2-(4-cyanophenyl)-5-pyrimidinyl)-4-hexylcyclohexane-1-carboxylate
SpectraBase Compound ID DiA1El9ZGor
InChI InChI=1S/C24H29N3O2/c1-2-3-4-5-6-18-7-13-21(14-8-18)24(28)29-22-16-26-23(27-17-22)20-11-9-19(15-25)10-12-20/h9-12,16-18,21H,2-8,13-14H2,1H3/t18-,21-
InChIKey RBAPAJQEVLQUBZ-XGAFWQRZSA-N
Mol Weight 391.52 g/mol
Molecular Formula C24H29N3O2
Exact Mass 391.225977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID BMkVlR83w2E
Name Trans-(2-(4-cyanophenyl)-5-pyrimidinyl)-4-hexylcyclohexane-1-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 391.225977184 u
Formula C24H29N3O2
InChI InChI=1S/C24H29N3O2/c1-2-3-4-5-6-18-7-13-21(14-8-18)24(28)29-22-16-26-23(27-17-22)20-11-9-19(15-25)10-12-20/h9-12,16-18,21H,2-8,13-14H2,1H3/t18-,21-
InChIKey RBAPAJQEVLQUBZ-XGAFWQRZSA-N
Molecular Weight 391.515 g/mol
SMILES C1[C@](CC[C@@](C1)(C(OC1=CN=C(C2=CC=C(C#N)C=C2)N=C1)=O)[H])(CCCCCC)[H]