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2-(N-METHYL-O-BROMOANILINO)-HEPT-3-ENENITRILE
SpectraBase Compound ID 66cPYboHQ7e
InChI InChI=1S/C14H17BrN2/c1-3-4-5-8-12(11-16)17(2)14-10-7-6-9-13(14)15/h5-10,12H,3-4H2,1-2H3/b8-5+
InChIKey HAYQOCBHBXMCJH-VMPITWQZSA-N
Mol Weight 293.21 g/mol
Molecular Formula C14H17BrN2
Exact Mass 292.057512 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkszIIjCOuu
Name (E)-2-(2-bromo-N-methyl-anilino)hept-3-enenitrile
Alternate Name(s) (E)-2-(2-bromo-N-methylanilino)-3-heptenenitrile (E)-2-[(2-bromophenyl)-methyl-amino]hept-3-enenitrile
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Formula C14H17BrN2
InChI InChI=1S/C14H17BrN2/c1-3-4-5-8-12(11-16)17(2)14-10-7-6-9-13(14)15/h5-10,12H,3-4H2,1-2H3/b8-5+
InChIKey HAYQOCBHBXMCJH-VMPITWQZSA-N
Molecular Weight 293.208 g/mol
SMILES c1(N(C(C#N)\C=C\CCC)C)c(Br)cccc1
SPLASH splash10-0a6r-3910000000-99fe42babb735dc9d05c
Source of Spectrum KC-0-2846-1
Wiley ID 823421