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Diglycolic acid, di(4-bromophenyl) ester

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

Diglycolic acid, di(4-bromophenyl) ester
SpectraBase Compound ID pgCdhMay8L
InChI InChI=1S/C16H12Br2O5/c17-11-1-5-13(6-2-11)22-15(19)9-21-10-16(20)23-14-7-3-12(18)4-8-14/h1-8H,9-10H2
InChIKey TXHVJPLIBJHVLN-UHFFFAOYSA-N
Mol Weight 444.08 g/mol
Molecular Formula C16H12Br2O5
Exact Mass 441.905149 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Hg5Uy9QJm4u
Name Diglycolic acid, di(4-bromophenyl) ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.905149481 u
Formula C16H12Br2O5
InChI InChI=1S/C16H12Br2O5/c17-11-1-5-13(6-2-11)22-15(19)9-21-10-16(20)23-14-7-3-12(18)4-8-14/h1-8H,9-10H2
InChIKey TXHVJPLIBJHVLN-UHFFFAOYSA-N
Molecular Weight 444.075 g/mol
SMILES C(COCC(=O)OC1=CC=C(C=C1)Br)(=O)OC1=CC=C(C=C1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.843822