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

*Links on SpectraBase are not permalinks.

Phthalic acid, 2,4,6-trichlorobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,4,6-trichlorobenzyl undecyl ester
SpectraBase Compound ID Gd8qa1WJmgh
InChI InChI=1S/C26H31Cl3O4/c1-2-3-4-5-6-7-8-9-12-15-32-25(30)20-13-10-11-14-21(20)26(31)33-18-22-23(28)16-19(27)17-24(22)29/h10-11,13-14,16-17H,2-9,12,15,18H2,1H3
InChIKey GHRBOCJZOAWZTF-UHFFFAOYSA-N
Mol Weight 513.89 g/mol
Molecular Formula C26H31Cl3O4
Exact Mass 512.128793 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 9LAzYKiDcJR
Name Phthalic acid, 2,4,6-trichlorobenzyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.128792574 u
Formula C26H31Cl3O4
InChI InChI=1S/C26H31Cl3O4/c1-2-3-4-5-6-7-8-9-12-15-32-25(30)20-13-10-11-14-21(20)26(31)33-18-22-23(28)16-19(27)17-24(22)29/h10-11,13-14,16-17H,2-9,12,15,18H2,1H3
InChIKey GHRBOCJZOAWZTF-UHFFFAOYSA-N
Molecular Weight 513.889 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)OCCCCCCCCCCC