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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 2-cyclohexylethyl decyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-cyclohexylethyl decyl ester
SpectraBase Compound ID 3FtPLzMcdgW
InChI InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-12-19-29-25(27)23-16-13-17-24(21-23)26(28)30-20-18-22-14-10-9-11-15-22/h13,16-17,21-22H,2-12,14-15,18-20H2,1H3
InChIKey IQUCMVGATXHUHB-UHFFFAOYSA-N
Mol Weight 416.6 g/mol
Molecular Formula C26H40O4
Exact Mass 416.29266 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 1hjO4CKbJYb
Name Isophthalic acid, 2-cyclohexylethyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.292659764 u
Formula C26H40O4
InChI InChI=1S/C26H40O4/c1-2-3-4-5-6-7-8-12-19-29-25(27)23-16-13-17-24(21-23)26(28)30-20-18-22-14-10-9-11-15-22/h13,16-17,21-22H,2-12,14-15,18-20H2,1H3
InChIKey IQUCMVGATXHUHB-UHFFFAOYSA-N
Molecular Weight 416.602 g/mol
SMILES C(COC(C1=CC(C(OCCCCCCCCCC)=O)=CC=C1)=O)C1CCCCC1