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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 8-chloroctyl isohexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 8-chloroctyl isohexyl ester
SpectraBase Compound ID 1MA7IcRCew
InChI InChI=1S/C22H33ClO4/c1-18(2)11-10-16-27-22(25)20-13-9-12-19(17-20)21(24)26-15-8-6-4-3-5-7-14-23/h9,12-13,17-18H,3-8,10-11,14-16H2,1-2H3
InChIKey ZHQFRDCEPFXFJT-UHFFFAOYSA-N
Mol Weight 397.0 g/mol
Molecular Formula C22H33ClO4
Exact Mass 396.206737 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 8JWAy9M4YGd
Name Isophthalic acid, 8-chloroctyl isohexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.206737239 u
Formula C22H33ClO4
InChI InChI=1S/C22H33ClO4/c1-18(2)11-10-16-27-22(25)20-13-9-12-19(17-20)21(24)26-15-8-6-4-3-5-7-14-23/h9,12-13,17-18H,3-8,10-11,14-16H2,1-2H3
InChIKey ZHQFRDCEPFXFJT-UHFFFAOYSA-N
Molecular Weight 396.955 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCC(C)C)C(OCCCCCCCCCl)=O