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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(3-chlorophenyl)ethyl undecyl ester
SpectraBase Compound ID 3y3pyfi0MWU
InChI InChI=1S/C27H35ClO4/c1-2-3-4-5-6-7-8-9-12-19-31-26(29)24-16-10-11-17-25(24)27(30)32-20-18-22-14-13-15-23(28)21-22/h10-11,13-17,21H,2-9,12,18-20H2,1H3
InChIKey FRXAMPFKFUOWTA-UHFFFAOYSA-N
Mol Weight 459.0 g/mol
Molecular Formula C27H35ClO4
Exact Mass 458.222387 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 2jJ2d1PKt8p
Name Phthalic acid, 2-(3-chlorophenyl)ethyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 458.222387303 u
Formula C27H35ClO4
InChI InChI=1S/C27H35ClO4/c1-2-3-4-5-6-7-8-9-12-19-31-26(29)24-16-10-11-17-25(24)27(30)32-20-18-22-14-13-15-23(28)21-22/h10-11,13-17,21H,2-9,12,18-20H2,1H3
InChIKey FRXAMPFKFUOWTA-UHFFFAOYSA-N
Molecular Weight 459.026 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC(=C1)Cl)=O)(OCCCCCCCCCCC)=O