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(2E,5E)-7-Bromo-2-(N-methylanilino)-4-prop-1-enylhepta-2,5-dienenitrile
SpectraBase Compound ID BlKc7XHrE33
InChI InChI=1S/C17H19BrN2/c1-3-8-15(9-7-12-18)13-17(14-19)20(2)16-10-5-4-6-11-16/h3-11,13,15H,12H2,1-2H3/b8-3+,9-7+,17-13+
InChIKey JATMLBCISPWUSJ-AVECJNKYSA-N
Mol Weight 331.26 g/mol
Molecular Formula C17H19BrN2
Exact Mass 330.073162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C3zJomL6eis
Name (2E,5E)-7-Bromo-2-(N-methylanilino)-4-prop-1-enylhepta-2,5-dienenitrile
Comments Less than 3 mono-isotopic peaks
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Formula C17H19BrN2
InChI InChI=1S/C17H19BrN2/c1-3-8-15(9-7-12-18)13-17(14-19)20(2)16-10-5-4-6-11-16/h3-11,13,15H,12H2,1-2H3/b8-3+,9-7+,17-13+
InChIKey JATMLBCISPWUSJ-AVECJNKYSA-N
Molecular Weight 331.257 g/mol
SMILES c1(N(\C(=C\C(\C=C\C)\C=C\CBr)C#N)C)ccccc1
SPLASH splash10-03e9-0079000000-219d0c19487ab2fbb88c
Source of Spectrum KC-1992-3090-18
Synonyms (2E,5E)-7-bromo-2-(methylanilino)-4-[(1E)-1-propenyl]-2,5-heptadienenitrile (2E,6E)-7-Bromo-2-(N-methylanilino)-4-prop-1-enylhepta-2,5-dienenitrile
Wiley ID 777427