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1-(4'-Chlorophenacyl)-4-benzoylimino-1H-1,2,4-triazolium ylide
SpectraBase Compound ID 9dyzYDISzYL
InChI InChI=1S/C17H13ClN4O2/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 DOZSCYUAXBFGEC-UHFFFAOYSA-N
Mol Weight 340.77 g/mol
Molecular Formula C17H13ClN4O2
Exact Mass 340.072703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fed7fYN5T3h
Name 1-(4'-Chlorophenacyl)-4-benzoylimino-1H-1,2,4-triazolium ylide
Alternate Name(s) (Z)-N-[1-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,4-triazol-4-ium-4-yl]benzenecarboximidate (Z)-N-[1-[2-(4-chlorophenyl)-2-oxo-ethyl]-1,2,4-triazol-4-ium-4-yl]benzenecarboximidate (Z)-N-[1-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-4-ium-4-yl]benzenecarboximidate
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Formula C17H13ClN4O2
InChI InChI=1S/C17H13ClN4O2/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 DOZSCYUAXBFGEC-UHFFFAOYSA-N
Molecular Weight 340.770 g/mol
SMILES C([N-][n+]1c[n](CC(c2ccc(cc2)Cl)=O)nc1)(=O)c1ccccc1
SPLASH splash10-08i1-4901000000-eb1cfeaa5a6e40878af7
Source of Spectrum Y-30-1411-22
Wiley ID 761201