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

*Links on SpectraBase are not permalinks.

Phthalic acid, 2,4-dichlorobenzyl hexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,4-dichlorobenzyl hexyl ester
SpectraBase Compound ID 9WY3tFGx3vi
InChI InChI=1S/C21H22Cl2O4/c1-2-3-4-7-12-26-20(24)17-8-5-6-9-18(17)21(25)27-14-15-10-11-16(22)13-19(15)23/h5-6,8-11,13H,2-4,7,12,14H2,1H3
InChIKey SHKNGNQOMNGCRW-UHFFFAOYSA-N
Mol Weight 409.31 g/mol
Molecular Formula C21H22Cl2O4
Exact Mass 408.089515 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 BF9HCowcdXY
Name Phthalic acid, 2,4-dichlorobenzyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.089514584 u
Formula C21H22Cl2O4
InChI InChI=1S/C21H22Cl2O4/c1-2-3-4-7-12-26-20(24)17-8-5-6-9-18(17)21(25)27-14-15-10-11-16(22)13-19(15)23/h5-6,8-11,13H,2-4,7,12,14H2,1H3
InChIKey SHKNGNQOMNGCRW-UHFFFAOYSA-N
Molecular Weight 409.309 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=C(C=C1)Cl)Cl)C(=O)OCCCCCC