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N-[5-(4-bromo-phenyl)-3-cyano-1-phenyl-1H-pyrrol-2-yl]-formimidic ethyl ester
SpectraBase Compound ID 514YmNUDy2D
InChI InChI=1S/C20H16BrN3O/c1-2-25-14-23-20-16(13-22)12-19(15-8-10-17(21)11-9-15)24(20)18-6-4-3-5-7-18/h3-12,14H,2H2,1H3/b23-14+
InChIKey MDZGXUKRMHHYMN-OEAKJJBVSA-N
Mol Weight 394.27 g/mol
Molecular Formula C20H16BrN3O
Exact Mass 393.047675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5ABCQjcG5c
Name N-[5-(4-bromo-phenyl)-3-cyano-1-phenyl-1H-pyrrol-2-yl]-formimidic ethyl ester
Alternate Name(s) (1E)-N-[5-(4-bromophenyl)-3-cyano-1-phenyl-2-pyrrolyl]methanimidic acid ethyl ester ethyl (1E)-N-[5-(4-bromophenyl)-3-cyano-1-phenylpyrrol-2-yl]methanimidate ethyl (1E)-N-[5-(4-bromophenyl)-3-cyano-1-phenyl-pyrrol-2-yl]methanimidate
Comments Less than 3 mono-isotopic peaks
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Formula C20H16BrN3O
InChI InChI=1S/C20H16BrN3O/c1-2-25-14-23-20-16(13-22)12-19(15-8-10-17(21)11-9-15)24(20)18-6-4-3-5-7-18/h3-12,14H,2H2,1H3/b23-14+
InChIKey MDZGXUKRMHHYMN-OEAKJJBVSA-N
Molecular Weight 394.272 g/mol
SMILES c1([n](c(cc1C#N)-c1ccc(cc1)Br)-c1ccccc1)\N=C\OCC
SPLASH splash10-0007-0009000000-fce6d88a8dd7cae5bc80
Source of Spectrum F2-45-5246-2b
Wiley ID 1703787