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

*Links on SpectraBase are not permalinks.

Isophthalic acid, 10-chlorodecyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 10-chlorodecyl octyl ester
SpectraBase Compound ID 7796l7WDnzT
InChI InChI=1S/C26H41ClO4/c1-2-3-4-5-11-14-20-30-25(28)23-17-16-18-24(22-23)26(29)31-21-15-12-9-7-6-8-10-13-19-27/h16-18,22H,2-15,19-21H2,1H3
InChIKey PWJXEABHRMHECZ-UHFFFAOYSA-N
Mol Weight 453.1 g/mol
Molecular Formula C26H41ClO4
Exact Mass 452.269337 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 BnCbcGb3m35
Name Isophthalic acid, 10-chlorodecyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.269337496 u
Formula C26H41ClO4
InChI InChI=1S/C26H41ClO4/c1-2-3-4-5-11-14-20-30-25(28)23-17-16-18-24(22-23)26(29)31-21-15-12-9-7-6-8-10-13-19-27/h16-18,22H,2-15,19-21H2,1H3
InChIKey PWJXEABHRMHECZ-UHFFFAOYSA-N
Molecular Weight 453.063 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCCCC)C(OCCCCCCCCCCCl)=O