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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Phthalic acid, pentyl 2,4,6-trichlorobenzyl ester
SpectraBase Compound ID 7VXOuEJdJwD
InChI InChI=1S/C20H19Cl3O4/c1-2-3-6-9-26-19(24)14-7-4-5-8-15(14)20(25)27-12-16-17(22)10-13(21)11-18(16)23/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3
InChIKey IPSAOAQQNQPMLP-UHFFFAOYSA-N
Mol Weight 429.73 g/mol
Molecular Formula C20H19Cl3O4
Exact Mass 428.034892 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 ABk4hTpsqXa
Name Phthalic acid, pentyl 2,4,6-trichlorobenzyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.034892188 u
Formula C20H19Cl3O4
InChI InChI=1S/C20H19Cl3O4/c1-2-3-6-9-26-19(24)14-7-4-5-8-15(14)20(25)27-12-16-17(22)10-13(21)11-18(16)23/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3
InChIKey IPSAOAQQNQPMLP-UHFFFAOYSA-N
Molecular Weight 429.727 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)OCCCCC