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4-(3-Bromophenyl)-3-cyano-but-3-enenitrile
SpectraBase Compound ID GSHiuUMWVSV
InChI InChI=1S/C11H7BrN2/c12-11-3-1-2-9(7-11)6-10(8-14)4-5-13/h1-3,6-7H,4H2/b10-6+
InChIKey JJWAMFJXMUHNJP-UXBLZVDNSA-N
Mol Weight 247.09 g/mol
Molecular Formula C11H7BrN2
Exact Mass 245.979261 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FVatoB3ZAR
Name 4-(3-Bromophenyl)-3-cyano-but-3-enenitrile
Alternate Name(s) (E)-2-(3-bromobenzylidene)succinonitrile
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Formula C11H7BrN2
InChI InChI=1S/C11H7BrN2/c12-11-3-1-2-9(7-11)6-10(8-14)4-5-13/h1-3,6-7H,4H2/b10-6+
InChIKey JJWAMFJXMUHNJP-UXBLZVDNSA-N
Literature Reference DOI 10.1002/cjoc.20030210737
Molecular Weight 247.095 g/mol
SMILES C(\C(=C\c1cc(ccc1)Br)CC#N)#N
SPLASH splash10-0007-0950000000-6432d89342d5e95d272d
Source of Spectrum CJC-21-908-6c
Wiley ID 1773822