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Glutaric acid, di(4-bromophenyl) ester

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

Glutaric acid, di(4-bromophenyl) ester
SpectraBase Compound ID Ky7oCqaqMPK
InChI InChI=1S/C17H14Br2O4/c18-12-4-8-14(9-5-12)22-16(20)2-1-3-17(21)23-15-10-6-13(19)7-11-15/h4-11H,1-3H2
InChIKey LICBOYUGEOPRET-UHFFFAOYSA-N
Mol Weight 442.1 g/mol
Molecular Formula C17H14Br2O4
Exact Mass 439.925885 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID La5XtY9MzJ2
Name Glutaric 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 439.925884927 u
Formula C17H14Br2O4
InChI InChI=1S/C17H14Br2O4/c18-12-4-8-14(9-5-12)22-16(20)2-1-3-17(21)23-15-10-6-13(19)7-11-15/h4-11H,1-3H2
InChIKey LICBOYUGEOPRET-UHFFFAOYSA-N
Molecular Weight 442.103 g/mol
SMILES C1(=CC=C(C=C1)OC(CCCC(OC1=CC=C(C=C1)Br)=O)=O)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.894225