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

*Links on SpectraBase are not permalinks.

Phthalic acid, 2-(4-chlorophenoxy)ethyl tridecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-chlorophenoxy)ethyl tridecyl ester
SpectraBase Compound ID JVLZCIiuTDi
InChI InChI=1S/C29H39ClO5/c1-2-3-4-5-6-7-8-9-10-11-16-21-34-28(31)24-17-12-13-18-25(24)29(32)35-23-22-33-27-20-15-14-19-26(27)30/h12-15,17-20H,2-11,16,21-23H2,1H3
InChIKey PQYKVGSVGAKUBW-UHFFFAOYSA-N
Mol Weight 503.1 g/mol
Molecular Formula C29H39ClO5
Exact Mass 502.248602 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 2GI79oYEFZZ
Name Phthalic acid, 2-(4-chlorophenoxy)ethyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 502.248602051 u
Formula C29H39ClO5
InChI InChI=1S/C29H39ClO5/c1-2-3-4-5-6-7-8-9-10-11-16-21-34-28(31)24-17-12-13-18-25(24)29(32)35-23-22-33-27-20-15-14-19-26(27)30/h12-15,17-20H,2-11,16,21-23H2,1H3
InChIKey PQYKVGSVGAKUBW-UHFFFAOYSA-N
Molecular Weight 503.079 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=CC=CC=C1Cl)=O)(OCCCCCCCCCCCCC)=O