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5-(3,4-Dimethoxy-phenyl)-4-(4-dimethylamino-phenyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazole-3-carboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

5-(3,4-Dimethoxy-phenyl)-4-(4-dimethylamino-phenyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazole-3-carboxylic acid ethyl ester
SpectraBase Compound ID F9zDWKfKvv9
InChI InChI=1S/C27H30N4O4/c1-6-35-27(32)25-28-31(22-10-8-7-9-11-22)26(19-12-17-23(33-4)24(18-19)34-5)30(25)21-15-13-20(14-16-21)29(2)3/h7-18,26H,6H2,1-5H3
InChIKey LGKLWTAQNCCUBW-UHFFFAOYSA-N
Mol Weight 474.56 g/mol
Molecular Formula C27H30N4O4
Exact Mass 474.226705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 814Lx1m5xro
Name 5-(3,4-Dimethoxy-phenyl)-4-(4-dimethylamino-phenyl)-1-phenyl-4,5-dihydro-1H-[1,2,4]triazole-3-carboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N4O4
InChI InChI=1S/C27H30N4O4/c1-6-35-27(32)25-28-31(22-10-8-7-9-11-22)26(19-12-17-23(33-4)24(18-19)34-5)30(25)21-15-13-20(14-16-21)29(2)3/h7-18,26H,6H2,1-5H3
InChIKey LGKLWTAQNCCUBW-UHFFFAOYSA-N
Molecular Weight 474.561 g/mol
SMILES C=1(N(C(c2cc(OC)c(cc2)OC)N(N1)c1ccccc1)c1ccc(cc1)N(C)C)C(=O)OCC
SPLASH splash10-00bi-2515900000-ac650df0dba88234e3b9
Synonyms 3-(3,4-dimethoxyphenyl)-4-(4-dimethylaminophenyl)-2-phenyl-3H-1,2,4-triazole-5-carboxylic acid ethyl ester Ethyl 3-(3,4-dimethoxyphenyl)-4-(4-dimethylaminophenyl)-2-phenyl-3H-1,2,4-triazole-5-carboxylate Ethyl 5-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate Ethyl 3-(3,4-dimethoxyphenyl)-4-[4-(dimethylamino)phenyl]-2-phenyl-3H-1,2,4-triazole-5-carboxylate
Wiley ID 1437482