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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, 2,3-dichlorophenyl pentyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 2,3-dichlorophenyl pentyl ester
SpectraBase Compound ID 9kXyDxxJe4f
InChI InChI=1S/C19H24Cl2O4/c1-2-3-6-12-24-18(22)13-8-4-5-9-14(13)19(23)25-16-11-7-10-15(20)17(16)21/h7,10-11,13-14H,2-6,8-9,12H2,1H3
InChIKey ZPDABEFERPPTQQ-UHFFFAOYSA-N
Mol Weight 387.3 g/mol
Molecular Formula C19H24Cl2O4
Exact Mass 386.105165 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 50dQSMlpX82
Name 1,2-Cyclohexanedicarboxylic acid, 2,3-dichlorophenyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 386.105164649 u
Formula C19H24Cl2O4
InChI InChI=1S/C19H24Cl2O4/c1-2-3-6-12-24-18(22)13-8-4-5-9-14(13)19(23)25-16-11-7-10-15(20)17(16)21/h7,10-11,13-14H,2-6,8-9,12H2,1H3
InChIKey ZPDABEFERPPTQQ-UHFFFAOYSA-N
Molecular Weight 387.303 g/mol
SMILES C1(=C(C(=CC=C1)Cl)Cl)OC(C1CCCCC1C(=O)OCCCCC)=O