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5-Amino-3-((4-bromobenzylidene)amino)-7-(4-bromophenyl)-1-(p-tolyl)-7H-pyrrolo[1,2-c]imidazole-6-carbonitrile
SpectraBase Compound ID Lo345WAkAqB
InChI InChI=1S/C27H19Br2N5/c1-16-2-6-19(7-3-16)24-25-23(18-8-12-21(29)13-9-18)22(14-30)26(31)34(25)27(33-24)32-15-17-4-10-20(28)11-5-17/h2-13,15,23H,31H2,1H3
InChIKey OYTXUKCEXDVQKX-UHFFFAOYSA-N
Mol Weight 573.29 g/mol
Molecular Formula C27H19Br2N5
Exact Mass 571.000722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xwWYT66q1O
Name 5-Amino-3-((4-bromobenzylidene)amino)-7-(4-bromophenyl)-1-(p-tolyl)-7H-pyrrolo[1,2-c]imidazole-6-carbonitrile
Appearance Yellow powder
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Formula C27H19Br2N5
InChI InChI=1S/C27H19Br2N5/c1-16-2-6-19(7-3-16)24-25-23(18-8-12-21(29)13-9-18)22(14-30)26(31)34(25)27(33-24)32-15-17-4-10-20(28)11-5-17/h2-13,15,23H,31H2,1H3
InChIKey OYTXUKCEXDVQKX-UHFFFAOYSA-N
Instrument Name Varian 1200L
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.15.101
Molecular Weight 573.292 g/mol
SMILES NC1=C(C(c2c(nc([n]12)N=Cc1ccc(cc1)Br)-c1ccc(cc1)C)c1ccc(cc1)Br)C#N
SPLASH splash10-000i-0900000000-fb52b1e67c0986cc67a3
Source of Spectrum BJO-15-SM29-14f
Wiley ID 1845852