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

*Links on SpectraBase are not permalinks.

Succinic acid, di(4-bromobenzyl) ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Succinic acid, di(4-bromobenzyl) ester
SpectraBase Compound ID 9bhioTl7YLF
InChI InChI=1S/C18H16Br2O4/c19-15-5-1-13(2-6-15)11-23-17(21)9-10-18(22)24-12-14-3-7-16(20)8-4-14/h1-8H,9-12H2
InChIKey ACSWCQALPUPLIC-UHFFFAOYSA-N
Mol Weight 456.13 g/mol
Molecular Formula C18H16Br2O4
Exact Mass 453.941535 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ECp310NfWBG
Name Succinic acid, di(4-bromobenzyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.941534991 u
Formula C18H16Br2O4
InChI InChI=1S/C18H16Br2O4/c19-15-5-1-13(2-6-15)11-23-17(21)9-10-18(22)24-12-14-3-7-16(20)8-4-14/h1-8H,9-12H2
InChIKey ACSWCQALPUPLIC-UHFFFAOYSA-N
Molecular Weight 456.130 g/mol
SMILES C(OC(=O)CCC(OCC1=CC=C(C=C1)Br)=O)C1=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936095