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4-[4-(diethylamino)phenyl]-3-(3,4-dimethoxyphenyl)-2-phenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester
SpectraBase Compound ID DbKRqRQwr9r
InChI InChI=1S/C29H34N4O4/c1-6-31(7-2)22-15-17-23(18-16-22)32-27(29(34)37-8-3)30-33(24-12-10-9-11-13-24)28(32)21-14-19-25(35-4)26(20-21)36-5/h9-20,28H,6-8H2,1-5H3
InChIKey HGUCOOWKCFEBAN-UHFFFAOYSA-N
Mol Weight 502.6 g/mol
Molecular Formula C29H34N4O4
Exact Mass 502.258006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JkzN6IjiWql
Name 4-[4-(diethylamino)phenyl]-3-(3,4-dimethoxyphenyl)-2-phenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester
Alternate Name(s) Ethyl 4-[4-(diethylamino)phenyl]-3-(3,4-dimethoxyphenyl)-2-phenyl-3H-1,2,4-triazole-5-carboxylate Ethyl 4-[4-(diethylamino)phenyl]-5-(3,4-dimethoxyphenyl)-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
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Formula C29H34N4O4
InChI InChI=1S/C29H34N4O4/c1-6-31(7-2)22-15-17-23(18-16-22)32-27(29(34)37-8-3)30-33(24-12-10-9-11-13-24)28(32)21-14-19-25(35-4)26(20-21)36-5/h9-20,28H,6-8H2,1-5H3
InChIKey HGUCOOWKCFEBAN-UHFFFAOYSA-N
Molecular Weight 502.615 g/mol
SMILES C=1(N(C(c2cc(OC)c(cc2)OC)N(N1)c1ccccc1)c1ccc(cc1)N(CC)CC)C(=O)OCC
SPLASH splash10-0gb9-3944030000-e9b95b0c494083f847a7
Wiley ID 1437395