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

*Links on SpectraBase are not permalinks.

1,2-Cyclohexanedicarboxylic acid, isohexyl 4-methoxyphenyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, isohexyl 4-methoxyphenyl ester
SpectraBase Compound ID 3B8mAukHUu
InChI InChI=1S/C21H30O5/c1-15(2)7-6-14-25-20(22)18-8-4-5-9-19(18)21(23)26-17-12-10-16(24-3)11-13-17/h10-13,15,18-19H,4-9,14H2,1-3H3
InChIKey XGFOFQIRAQSMNY-UHFFFAOYSA-N
Mol Weight 362.47 g/mol
Molecular Formula C21H30O5
Exact Mass 362.209324 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 DT4M3KkUuFj
Name 1,2-Cyclohexanedicarboxylic acid, isohexyl 4-methoxyphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.209324061 u
Formula C21H30O5
InChI InChI=1S/C21H30O5/c1-15(2)7-6-14-25-20(22)18-8-4-5-9-19(18)21(23)26-17-12-10-16(24-3)11-13-17/h10-13,15,18-19H,4-9,14H2,1-3H3
InChIKey XGFOFQIRAQSMNY-UHFFFAOYSA-N
Molecular Weight 362.466 g/mol
SMILES C1CC(C(CC1)C(=O)OC1=CC=C(C=C1)OC)C(OCCCC(C)C)=O