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(2E,5E)-4-(3-bromanylpropyl)-2-[methyl(phenyl)amino]hepta-2,5-dienenitrile
SpectraBase Compound ID IMeVoxP30i5
InChI InChI=1S/C17H21BrN2/c1-3-8-15(9-7-12-18)13-17(14-19)20(2)16-10-5-4-6-11-16/h3-6,8,10-11,13,15H,7,9,12H2,1-2H3/b8-3+,17-13+
InChIKey PGKGAGNEENJQEC-ZLDOBWDLSA-N
Mol Weight 333.27 g/mol
Molecular Formula C17H21BrN2
Exact Mass 332.088812 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UMHKZmwYcq
Name (2E,5E)-4-(3-bromanylpropyl)-2-[methyl(phenyl)amino]hepta-2,5-dienenitrile
Comments Less than 3 mono-isotopic peaks
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Formula C17H21BrN2
InChI InChI=1S/C17H21BrN2/c1-3-8-15(9-7-12-18)13-17(14-19)20(2)16-10-5-4-6-11-16/h3-6,8,10-11,13,15H,7,9,12H2,1-2H3/b8-3+,17-13+
InChIKey PGKGAGNEENJQEC-ZLDOBWDLSA-N
Molecular Weight 333.273 g/mol
SMILES c1(N(\C(=C\C(\C=C\C)CCCBr)C#N)C)ccccc1
SPLASH splash10-03di-0091000000-84ae7ec65aad2ea74056
Source of Spectrum KC-1992-3090-17
Synonyms (2E,5E)-4-(3-bromopropyl)-2-(N-methylanilino)hepta-2,5-dienenitrile
Wiley ID 777429