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

*Links on SpectraBase are not permalinks.

Phthalic acid, 2-(3-chlorophenyl)ethyl pentyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(3-chlorophenyl)ethyl pentyl ester
SpectraBase Compound ID Bex1mfo3UtQ
InChI InChI=1S/C21H23ClO4/c1-2-3-6-13-25-20(23)18-10-4-5-11-19(18)21(24)26-14-12-16-8-7-9-17(22)15-16/h4-5,7-11,15H,2-3,6,12-14H2,1H3
InChIKey SQTOJDZSDXHUBT-UHFFFAOYSA-N
Mol Weight 374.86 g/mol
Molecular Formula C21H23ClO4
Exact Mass 374.128487 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ICywpZNrinc
Name Phthalic acid, 2-(3-chlorophenyl)ethyl pentyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.128486917 u
Formula C21H23ClO4
InChI InChI=1S/C21H23ClO4/c1-2-3-6-13-25-20(23)18-10-4-5-11-19(18)21(24)26-14-12-16-8-7-9-17(22)15-16/h4-5,7-11,15H,2-3,6,12-14H2,1H3
InChIKey SQTOJDZSDXHUBT-UHFFFAOYSA-N
Molecular Weight 374.864 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC(=C1)Cl)=O)(OCCCCC)=O