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3-(1H-indol-3-yl)-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester
SpectraBase Compound ID 2UiHFkIGVhn
InChI InChI=1S/C26H24N4O3/c1-3-33-26(31)24-28-30(19-9-5-4-6-10-19)25(22-17-27-23-12-8-7-11-21(22)23)29(24)18-13-15-20(32-2)16-14-18/h4-17,25,27H,3H2,1-2H3
InChIKey PFSBXCNQABDDNW-UHFFFAOYSA-N
Mol Weight 440.5 g/mol
Molecular Formula C26H24N4O3
Exact Mass 440.184841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2OvRgVO1Kz6
Name 3-(1H-indol-3-yl)-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 3-(1H-indol-3-yl)-4-(4-methoxyphenyl)-2-phenyl-3H-1,2,4-triazole-5-carboxylate Ethyl 5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
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Formula C26H24N4O3
InChI InChI=1S/C26H24N4O3/c1-3-33-26(31)24-28-30(19-9-5-4-6-10-19)25(22-17-27-23-12-8-7-11-21(22)23)29(24)18-13-15-20(32-2)16-14-18/h4-17,25,27H,3H2,1-2H3
InChIKey PFSBXCNQABDDNW-UHFFFAOYSA-N
Molecular Weight 440.503 g/mol
SMILES [nH]1c2c(c(c1)C1N(C(=NN1c1ccccc1)C(=O)OCC)c1ccc(cc1)OC)cccc2
SPLASH splash10-01du-8790400000-dc22e3fa0f4df3a14e30
Wiley ID 1457805