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1-(4'-Bromophenacyl)-4-benzoylimino-1H-1,2,4-triazolium ylide
SpectraBase Compound ID IaJJ9EJ5G9D
InChI InChI=1S/C17H13BrN4O2/c18-15-8-6-13(7-9-15)16(23)10-21-12-22(11-19-21)20-17(24)14-4-2-1-3-5-14/h1-9,11-12H,10H2
InChIKey CBBMIHRCOCMHLX-UHFFFAOYSA-N
Mol Weight 385.22 g/mol
Molecular Formula C17H13BrN4O2
Exact Mass 384.022189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLWVkeD1oAj
Name 1-(4'-Bromophenacyl)-4-benzoylimino-1H-1,2,4-triazolium ylide
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Formula C17H13BrN4O2
InChI InChI=1S/C17H13BrN4O2/c18-15-8-6-13(7-9-15)16(23)10-21-12-22(11-19-21)20-17(24)14-4-2-1-3-5-14/h1-9,11-12H,10H2
InChIKey CBBMIHRCOCMHLX-UHFFFAOYSA-N
Molecular Weight 385.221 g/mol
SMILES C([N-][n+]1c[n](CC(c2ccc(cc2)Br)=O)nc1)(=O)c1ccccc1
SPLASH splash10-0pei-5900000000-105150008fb7f8bfdfd5
Source of Spectrum Y-30-1411-22
Synonyms (Z)-N-[1-[2-(4-bromophenyl)-2-oxoethyl]-1,2,4-triazol-4-ium-4-yl]benzenecarboximidate (Z)-N-[1-[2-(4-bromophenyl)-2-oxo-ethyl]-1,2,4-triazol-4-ium-4-yl]benzenecarboximidate (Z)-N-[1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-4-yl]benzenecarboximidate
Wiley ID 761202