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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, 2-biphenyl pentyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2-biphenyl pentyl ester
SpectraBase Compound ID Dl7DUr89Ieb
InChI InChI=1S/C25H30O4/c1-2-3-11-18-28-24(26)21-15-7-8-16-22(21)25(27)29-23-17-10-9-14-20(23)19-12-5-4-6-13-19/h4-6,9-10,12-14,17,21-22H,2-3,7-8,11,15-16,18H2,1H3
InChIKey VVKSMWGRGQRBCD-UHFFFAOYSA-N
Mol Weight 394.51 g/mol
Molecular Formula C25H30O4
Exact Mass 394.214409 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 6xyy9BdANyV
Name 1,2-Cyclohexanedicarboxylic acid, 2-biphenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.214409442 u
Formula C25H30O4
InChI InChI=1S/C25H30O4/c1-2-3-11-18-28-24(26)21-15-7-8-16-22(21)25(27)29-23-17-10-9-14-20(23)19-12-5-4-6-13-19/h4-6,9-10,12-14,17,21-22H,2-3,7-8,11,15-16,18H2,1H3
InChIKey VVKSMWGRGQRBCD-UHFFFAOYSA-N
Molecular Weight 394.511 g/mol
SMILES C(C1CCCCC1C(=O)OC1=C(C=CC=C1)C1=CC=CC=C1)(OCCCCC)=O