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

*Links on SpectraBase are not permalinks.

Phthalic acid, di(4-bromobenzyl) ester

View entire compound with spectra: 1 NMR

Phthalic acid, di(4-bromobenzyl) ester
SpectraBase Compound ID 81e6eqbMy8z
InChI InChI=1S/C22H16Br2O4/c23-17-9-5-15(6-10-17)13-27-21(25)19-3-1-2-4-20(19)22(26)28-14-16-7-11-18(24)12-8-16/h1-12H,13-14H2
InChIKey HHGNAIZVFAAMRY-UHFFFAOYSA-N
Mol Weight 504.17 g/mol
Molecular Formula C22H16Br2O4
Exact Mass 501.941535 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 K5ZKAonWits
Name Phthalic acid, di(4-bromobenzyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 501.941534991 u
Formula C22H16Br2O4
InChI InChI=1S/C22H16Br2O4/c23-17-9-5-15(6-10-17)13-27-21(25)19-3-1-2-4-20(19)22(26)28-14-16-7-11-18(24)12-8-16/h1-12H,13-14H2
InChIKey HHGNAIZVFAAMRY-UHFFFAOYSA-N
Molecular Weight 504.174 g/mol
SMILES C1=CC=CC(=C1C(OCC1=CC=C(C=C1)Br)=O)C(OCC1=CC=C(C=C1)Br)=O