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(2E,5E)-4-(2-bromobenzyl)-3,5-dimethyl-2-(N-methylanilino)hepta-2,5-dienedinitrile
SpectraBase Compound ID LvqULDxIidV
InChI InChI=1S/C23H22BrN3/c1-17(13-14-25)21(15-19-9-7-8-12-22(19)24)18(2)23(16-26)27(3)20-10-5-4-6-11-20/h4-13,21H,15H2,1-3H3/b17-13+,23-18+
InChIKey RUBXATJCCZOOSQ-QKRNUNIBSA-N
Mol Weight 420.35 g/mol
Molecular Formula C23H22BrN3
Exact Mass 419.099711 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9oneemGpVlX
Name (2E,5E)-4-(2-bromobenzyl)-3,5-dimethyl-2-(N-methylanilino)hepta-2,5-dienedinitrile
Comments Less than 3 mono-isotopic peaks
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Formula C23H22BrN3
InChI InChI=1S/C23H22BrN3/c1-17(13-14-25)21(15-19-9-7-8-12-22(19)24)18(2)23(16-26)27(3)20-10-5-4-6-11-20/h4-13,21H,15H2,1-3H3/b17-13+,23-18+
InChIKey RUBXATJCCZOOSQ-QKRNUNIBSA-N
Molecular Weight 420.354 g/mol
SMILES C(\C(=C/(N(c1ccccc1)C)C#N)C)(Cc1c(Br)cccc1)\C(=C\C#N)C
SPLASH splash10-0udi-0090100000-530bb1ddea5a8410be53
Source of Spectrum KC-0-884-14
Synonyms (2E,5E)-4-[(2-bromophenyl)methyl]-3,5-dimethyl-2-(N-methylanilino)hepta-2,5-dienedinitrile (2E,5E)-4-[(2-bromophenyl)methyl]-3,5-dimethyl-2-[methyl(phenyl)amino]hepta-2,5-dienedinitrile
Wiley ID 783344