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4-Phenylenebis[5-(4-bromophenyl)-2'-(2',5'-bipyrimidine)]
SpectraBase Compound ID CVm4N8MTDGQ
InChI InChI=1S/C34H20Br2N8/c35-29-9-5-21(6-10-29)25-13-37-33(38-14-25)27-17-41-31(42-18-27)23-1-2-24(4-3-23)32-43-19-28(20-44-32)34-39-15-26(16-40-34)22-7-11-30(36)12-8-22/h1-20H
InChIKey UTBNCQQHXGPZSB-UHFFFAOYSA-N
Mol Weight 700.4 g/mol
Molecular Formula C34H20Br2N8
Exact Mass 698.017769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TmQ5Owr8T9
Name 4-Phenylenebis[5-(4-bromophenyl)-2'-(2',5'-bipyrimidine)]
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Formula C34H20Br2N8
InChI InChI=1S/C34H20Br2N8/c35-29-9-5-21(6-10-29)25-13-37-33(38-14-25)27-17-41-31(42-18-27)23-1-2-24(4-3-23)32-43-19-28(20-44-32)34-39-15-26(16-40-34)22-7-11-30(36)12-8-22/h1-20H
InChIKey UTBNCQQHXGPZSB-UHFFFAOYSA-N
Molecular Weight 700.398 g/mol
SMILES c1(-c2cnc(nc2)-c2ccc(-c3ncc(-c4ncc(cn4)-c4ccc(cc4)Br)cn3)cc2)ncc(cn1)-c1ccc(cc1)Br
SPLASH splash10-00dr-0060009200-8f53fad36eeff79739bd
Source of Spectrum SO-0-712-25
Wiley ID 874551