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

*Links on SpectraBase are not permalinks.
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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 6wpM6ZXeJVV
Name Triethyl 5-bromobiphenyl-2,4,4'-tricarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1039/C5SC02558C
Molecular Weight 449.297 g/mol
SMILES c1(c(cc(c(c1)Br)C(=O)OCC)C(=O)OCC)-c1ccc(cc1)C(=O)OCC
SPLASH splash10-0zfr-0002900000-2863d24dbc3f1378e76b
Source of Spectrum CSS-6-6649/SM13-3g
Synonyms Triethyl 5-bromo-[1,1'-biphenyl]-2,4,4'-tricarboxylate
Wiley ID 1801069