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

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-bromophenyl)ethyl tridecyl ester
SpectraBase Compound ID 2MVBiN9fEN0
InChI InChI=1S/C29H39BrO4/c1-2-3-4-5-6-7-8-9-10-11-14-22-33-28(31)26-15-12-13-16-27(26)29(32)34-23-21-24-17-19-25(30)20-18-24/h12-13,15-20H,2-11,14,21-23H2,1H3
InChIKey YERGUNUHRSBGPM-UHFFFAOYSA-N
Mol Weight 531.5 g/mol
Molecular Formula C29H39BrO4
Exact Mass 530.203173 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 1N7PoVCqxVJ
Name Phthalic acid, 2-(4-bromophenyl)ethyl tridecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.203172732 u
Formula C29H39BrO4
InChI InChI=1S/C29H39BrO4/c1-2-3-4-5-6-7-8-9-10-11-14-22-33-28(31)26-15-12-13-16-27(26)29(32)34-23-21-24-17-19-25(30)20-18-24/h12-13,15-20H,2-11,14,21-23H2,1H3
InChIKey YERGUNUHRSBGPM-UHFFFAOYSA-N
Molecular Weight 531.531 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=C(C=C1)Br)=O)(OCCCCCCCCCCCCC)=O