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

*Links on SpectraBase are not permalinks.

[1,1'-Biphenyl]-3,4'-dicarboxylic acid, bis[2-(4-bromophenyl)-2-oxoethyl] ester

View entire compound with spectra: 2 NMR

[1,1'-Biphenyl]-3,4'-dicarboxylic acid, bis[2-(4-bromophenyl)-2-oxoethyl] ester
SpectraBase Compound ID DrHVXDJkQbZ
InChI InChI=1S/C30H20Br2O6/c31-25-12-8-20(9-13-25)27(33)17-37-29(35)22-6-4-19(5-7-22)23-2-1-3-24(16-23)30(36)38-18-28(34)21-10-14-26(32)15-11-21/h1-16H,17-18H2
InChIKey OQYRYRYWUKMALT-UHFFFAOYSA-N
Mol Weight 636.29 g/mol
Molecular Formula C30H20Br2O6
Exact Mass 633.962664 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 HOHGLDmporN
Name [1,1'-Biphenyl]-3,4'-dicarboxylic acid, bis[2-(4-bromophenyl)-2-oxoethyl] ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 633.962664358 u
Formula C30H20Br2O6
InChI InChI=1S/C30H20Br2O6/c31-25-12-8-20(9-13-25)27(33)17-37-29(35)22-6-4-19(5-7-22)23-2-1-3-24(16-23)30(36)38-18-28(34)21-10-14-26(32)15-11-21/h1-16H,17-18H2
InChIKey OQYRYRYWUKMALT-UHFFFAOYSA-N
Molecular Weight 636.292 g/mol
SMILES C(C=1C=C(C=2C=CC(C(OCC(C3=CC=C(C=C3)Br)=O)=O)=CC2)C=CC1)(OCC(C1=CC=C(C=C1)Br)=O)=O