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

*Links on SpectraBase are not permalinks.

Triethyl 5-bromobiphenyl-2,4,4'-tricarboxylate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Triethyl 5-bromobiphenyl-2,4,4'-tricarboxylate
SpectraBase Compound ID IFdvhxMEIro
InChI InChI=1S/C21H21BrO6/c1-4-26-19(23)14-9-7-13(8-10-14)15-12-18(22)17(21(25)28-6-3)11-16(15)20(24)27-5-2/h7-12H,4-6H2,1-3H3
InChIKey AOOCKCNRBCBULL-UHFFFAOYSA-N
Mol Weight 449.3 g/mol
Molecular Formula C21H21BrO6
Exact Mass 448.052151 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

Subscribe to view the full spectrum.

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

SpectraBase Spectrum ID F861JYsABVq
Name Triethyl 5-bromobiphenyl-2,4,4'-tricarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.052151390 u
Formula C21H21BrO6
InChI InChI=1S/C21H21BrO6/c1-4-26-19(23)14-9-7-13(8-10-14)15-12-18(22)17(21(25)28-6-3)11-16(15)20(24)27-5-2/h7-12H,4-6H2,1-3H3
InChIKey AOOCKCNRBCBULL-UHFFFAOYSA-N
Molecular Weight 449.297 g/mol
SMILES C=1(C(=CC(=C(C1)Br)C(=O)OCC)C(=O)OCC)C=1C=CC(=CC1)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941645