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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl isohexyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl isohexyl ester
SpectraBase Compound ID 9pv4tMpd0tm
InChI InChI=1S/C21H35ClO4/c1-15(2)8-7-13-25-20(23)17-10-4-5-11-18(17)21(24)26-14-16-9-3-6-12-19(16)22/h15-19H,3-14H2,1-2H3
InChIKey BCRIHSBUEDJNGV-UHFFFAOYSA-N
Mol Weight 387.0 g/mol
Molecular Formula C21H35ClO4
Exact Mass 386.222387 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 7fjKPI0u11A
Name 1,2-Cyclohexanedicarboxylic acid, (2-chlorocyclohexyl)methyl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.222387303 u
Formula C21H35ClO4
InChI InChI=1S/C21H35ClO4/c1-15(2)8-7-13-25-20(23)17-10-4-5-11-18(17)21(24)26-14-16-9-3-6-12-19(16)22/h15-19H,3-14H2,1-2H3
InChIKey BCRIHSBUEDJNGV-UHFFFAOYSA-N
Molecular Weight 386.960 g/mol
SMILES C1C(C(CCC1)Cl)COC(C1CCCCC1C(OCCCC(C)C)=O)=O