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

*Links on SpectraBase are not permalinks.

Phthalic acid, decyl 2,2-dichloroethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, decyl 2,2-dichloroethyl ester
SpectraBase Compound ID 7j6y0TDkXD1
InChI InChI=1S/C20H28Cl2O4/c1-2-3-4-5-6-7-8-11-14-25-19(23)16-12-9-10-13-17(16)20(24)26-15-18(21)22/h9-10,12-13,18H,2-8,11,14-15H2,1H3
InChIKey FXZIVYLBVMMJMI-UHFFFAOYSA-N
Mol Weight 403.35 g/mol
Molecular Formula C20H28Cl2O4
Exact Mass 402.136465 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 7YbnvyX6g2l
Name Phthalic acid, decyl 2,2-dichloroethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.136464778 u
Formula C20H28Cl2O4
InChI InChI=1S/C20H28Cl2O4/c1-2-3-4-5-6-7-8-11-14-25-19(23)16-12-9-10-13-17(16)20(24)26-15-18(21)22/h9-10,12-13,18H,2-8,11,14-15H2,1H3
InChIKey FXZIVYLBVMMJMI-UHFFFAOYSA-N
Molecular Weight 403.346 g/mol
SMILES C1=C(C(=CC=C1)C(=O)OCCCCCCCCCC)C(OCC(Cl)Cl)=O