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ethyl 2-[4-[(E)-benzylideneamino]-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]acetate
SpectraBase Compound ID 8MlgMkPputv
InChI InChI=1S/C20H19ClN4O3/c1-2-28-19(26)14-24-20(27)25(22-13-16-6-4-3-5-7-16)18(23-24)12-15-8-10-17(21)11-9-15/h3-11,13H,2,12,14H2,1H3/b22-13+
InChIKey SKBKCKCPVOMOTF-LPYMAVHISA-N
Mol Weight 398.85 g/mol
Molecular Formula C20H19ClN4O3
Exact Mass 398.114568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXRwgpD5VAe
Name ethyl 2-[4-[(E)-benzylideneamino]-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-1-yl]acetate
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Formula C20H19ClN4O3
InChI InChI=1S/C20H19ClN4O3/c1-2-28-19(26)14-24-20(27)25(22-13-16-6-4-3-5-7-16)18(23-24)12-15-8-10-17(21)11-9-15/h3-11,13H,2,12,14H2,1H3/b22-13+
InChIKey SKBKCKCPVOMOTF-LPYMAVHISA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0006.108
Molecular Weight 398.850 g/mol
SMILES C=1(N(C(N(N1)CC(OCC)=O)=O)\N=C\c1ccccc1)Cc1ccc(cc1)Cl
SPLASH splash10-0002-1192000000-8dc2faa84dcfd4f58f21
Source of Spectrum ARK-2005-83-2c
Wiley ID 1870859