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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl undecyl ester
SpectraBase Compound ID H7NhPlN13AK
InChI InChI=1S/C25H37ClO4/c1-2-3-4-5-6-7-8-9-12-18-29-24(27)22-16-10-11-17-23(22)25(28)30-21-15-13-14-20(26)19-21/h13-15,19,22-23H,2-12,16-18H2,1H3
InChIKey LHSLHQBIMNKLCQ-UHFFFAOYSA-N
Mol Weight 437.0 g/mol
Molecular Formula C25H37ClO4
Exact Mass 436.238037 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 CkFIuKK0l2Q
Name 1,2-Cyclohexanedicarboxylic acid, 3-chlorophenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.238037367 u
Formula C25H37ClO4
InChI InChI=1S/C25H37ClO4/c1-2-3-4-5-6-7-8-9-12-18-29-24(27)22-16-10-11-17-23(22)25(28)30-21-15-13-14-20(26)19-21/h13-15,19,22-23H,2-12,16-18H2,1H3
InChIKey LHSLHQBIMNKLCQ-UHFFFAOYSA-N
Molecular Weight 437.020 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=CC(=C1)Cl)C(OCCCCCCCCCCC)=O