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3-Bromo-4'-pyren-1-ylbiphenyl-2,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID LPU5vtcZe51
InChI InChI=1S/C32H21BrO4/c1-36-31(34)23-16-26(30(27(33)17-23)32(35)37-2)19-8-6-18(7-9-19)24-14-12-22-11-10-20-4-3-5-21-13-15-25(24)29(22)28(20)21/h3-17H,1-2H3
InChIKey XOOFDYLLZKLNMA-UHFFFAOYSA-N
Mol Weight 549.4 g/mol
Molecular Formula C32H21BrO4
Exact Mass 548.062322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2amSwmetXWw
Name 3-Bromo-4'-pyren-1-ylbiphenyl-2,5-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H21BrO4
InChI InChI=1S/C32H21BrO4/c1-36-31(34)23-16-26(30(27(33)17-23)32(35)37-2)19-8-6-18(7-9-19)24-14-12-22-11-10-20-4-3-5-21-13-15-25(24)29(22)28(20)21/h3-17H,1-2H3
InChIKey XOOFDYLLZKLNMA-UHFFFAOYSA-N
Molecular Weight 549.420 g/mol
SMILES c1(c(cc(cc1Br)C(=O)OC)-c1ccc(-c2c3c4c5c(cccc5cc3)ccc4cc2)cc1)C(=O)OC
SPLASH splash10-0f6t-0000090000-5a053b0a296c002e50da
Source of Spectrum SO-0-2153-21
Synonyms Dimethyl 3-bromo-4'-(1-pyrenyl)[1,1'-biphenyl]-2,5-dicarboxylate
Wiley ID 879251