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

*Links on SpectraBase are not permalinks.

Phthalic acid, butyl 1-(2,4-dichlorophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, butyl 1-(2,4-dichlorophenyl)ethyl ester
SpectraBase Compound ID 2LOk3LFnlCa
InChI InChI=1S/C20H20Cl2O4/c1-3-4-11-25-19(23)16-7-5-6-8-17(16)20(24)26-13(2)15-10-9-14(21)12-18(15)22/h5-10,12-13H,3-4,11H2,1-2H3
InChIKey WCMQTWYITBBLIH-UHFFFAOYSA-N
Mol Weight 395.28 g/mol
Molecular Formula C20H20Cl2O4
Exact Mass 394.073865 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 2inRdnOlVbe
Name Phthalic acid, butyl 1-(2,4-dichlorophenyl)ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.073864520 u
Formula C20H20Cl2O4
InChI InChI=1S/C20H20Cl2O4/c1-3-4-11-25-19(23)16-7-5-6-8-17(16)20(24)26-13(2)15-10-9-14(21)12-18(15)22/h5-10,12-13H,3-4,11H2,1-2H3
InChIKey WCMQTWYITBBLIH-UHFFFAOYSA-N
Molecular Weight 395.282 g/mol
SMILES C(C1=C(C=CC=C1)C(OC(C)C1=CC=C(C=C1Cl)Cl)=O)(OCCCC)=O