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

*Links on SpectraBase are not permalinks.

Phthalic acid, 3,4-dichlorophenyl 2-ethylhexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 3,4-dichlorophenyl 2-ethylhexyl ester
SpectraBase Compound ID 1m3bPphPOWW
InChI InChI=1S/C22H24Cl2O4/c1-3-5-8-15(4-2)14-27-21(25)17-9-6-7-10-18(17)22(26)28-16-11-12-19(23)20(24)13-16/h6-7,9-13,15H,3-5,8,14H2,1-2H3
InChIKey ORATVVFDHWBWGL-UHFFFAOYSA-N
Mol Weight 423.34 g/mol
Molecular Formula C22H24Cl2O4
Exact Mass 422.105165 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 4VgiZF0NHpb
Name Phthalic acid, 3,4-dichlorophenyl 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.105164649 u
Formula C22H24Cl2O4
InChI InChI=1S/C22H24Cl2O4/c1-3-5-8-15(4-2)14-27-21(25)17-9-6-7-10-18(17)22(26)28-16-11-12-19(23)20(24)13-16/h6-7,9-13,15H,3-5,8,14H2,1-2H3
InChIKey ORATVVFDHWBWGL-UHFFFAOYSA-N
Molecular Weight 423.336 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(=C(C=C1)Cl)Cl)=O)C(OCC(CCCC)CC)=O