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3-(4-Ethoxy-6-piperidino-s-triazin-2-yl)-5-phenyl-triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID 3WuVQz7unIw
InChI InChI=1S/C21H25N7O3/c1-3-30-18(29)17-16(15-11-7-5-8-12-15)25-26-28(17)20-22-19(23-21(24-20)31-4-2)27-13-9-6-10-14-27/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3
InChIKey TUSPHNIBXFMXQW-UHFFFAOYSA-N
Mol Weight 423.48 g/mol
Molecular Formula C21H25N7O3
Exact Mass 423.201888 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPTqkf6n3wM
Name 3-(4-Ethoxy-6-piperidino-s-triazin-2-yl)-5-phenyl-triazole-4-carboxylic acid ethyl ester
Alternate Name(s) 3-[4-ethoxy-6-(1-piperidinyl)-1,3,5-triazin-2-yl]-5-phenyl-4-triazolecarboxylic acid ethyl ester Ethyl 3-(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-5-phenyl-1,2,3-triazole-4-carboxylate Ethyl 3-(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)-5-phenyltriazole-4-carboxylate Ethyl 3-[4-ethoxy-6-(1-piperidyl)-1,3,5-triazin-2-yl]-5-phenyl-triazole-4-carboxylate
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Formula C21H25N7O3
InChI InChI=1S/C21H25N7O3/c1-3-30-18(29)17-16(15-11-7-5-8-12-15)25-26-28(17)20-22-19(23-21(24-20)31-4-2)27-13-9-6-10-14-27/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3
InChIKey TUSPHNIBXFMXQW-UHFFFAOYSA-N
Molecular Weight 423.477 g/mol
SMILES C1CCN(c2nc(-[n]3c(c(-c4ccccc4)nn3)C(=O)OCC)nc(n2)OCC)CC1
SPLASH splash10-05fv-9534000000-4b7424bcead993dc45d9
Wiley ID 1444431