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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 3,4-dimethylcyclohexyl pentyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 3,4-dimethylcyclohexyl pentyl ester
SpectraBase Compound ID G5FJK2pUJOl
InChI InChI=1S/C21H30O4/c1-4-5-6-12-24-20(22)17-8-7-9-18(14-17)21(23)25-19-11-10-15(2)16(3)13-19/h7-9,14-16,19H,4-6,10-13H2,1-3H3
InChIKey FIUZJZHTCWQPHA-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 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 7E497dasVIn
Name Isophthalic acid, 3,4-dimethylcyclohexyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-4-5-6-12-24-20(22)17-8-7-9-18(14-17)21(23)25-19-11-10-15(2)16(3)13-19/h7-9,14-16,19H,4-6,10-13H2,1-3H3
InChIKey FIUZJZHTCWQPHA-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C(C1=CC(=CC=C1)C(OC1CCC(C(C1)C)C)=O)(OCCCCC)=O