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Methyl 1-(4-chlorophenyl)-5-(2-(4-chlorophenyl)-2-(1-(4-chlorophenyl)-3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl)hydrazinyl)-6-oxo-1,6-dihydro-1,2,4-triazine-3-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 1-(4-chlorophenyl)-5-(2-(4-chlorophenyl)-2-(1-(4-chlorophenyl)-3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl)hydrazinyl)-6-oxo-1,6-dihydro-1,2,4-triazine-3-carboxylate
SpectraBase Compound ID OpArI2ZyD8
InChI InChI=1S/C27H19Cl3N8O5/c1-42-25(40)22-31-21(24(39)36(34-22)18-9-3-15(28)4-10-18)33-37(19-11-5-16(29)6-12-19)27-32-23(26(41)43-2)35-38(27)20-13-7-17(30)8-14-20/h3-14H,1-2H3,(H,31,33,34)
InChIKey NIVNMULHYKKBNW-UHFFFAOYSA-N
Mol Weight 641.86 g/mol
Molecular Formula C27H19Cl3N8O5
Exact Mass 640.054399 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJjnZGLvzpP
Name Methyl 1-(4-chlorophenyl)-5-(2-(4-chlorophenyl)-2-(1-(4-chlorophenyl)-3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl)hydrazinyl)-6-oxo-1,6-dihydro-1,2,4-triazine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19Cl3N8O5
InChI InChI=1S/C27H19Cl3N8O5/c1-42-25(40)22-31-21(24(39)36(34-22)18-9-3-15(28)4-10-18)33-37(19-11-5-16(29)6-12-19)27-32-23(26(41)43-2)35-38(27)20-13-7-17(30)8-14-20/h3-14H,1-2H3,(H,31,33,34)
InChIKey NIVNMULHYKKBNW-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ajoc.201700271
Molecular Weight 641.859 g/mol
SMILES N(N(c1[n](nc(n1)C(=O)OC)-c1ccc(cc1)Cl)c1ccc(cc1)Cl)C1=NC(=NN(C1=O)c1ccc(cc1)Cl)C(=O)OC
SPLASH splash10-01r6-2956007000-032cde4fc2ec74bfa088
Source of Spectrum AJO-6-1474-3h
Synonyms Methyl 1-(4-chlorophenyl)-5-(2-(4-chlorophenyl)-2-(1-(4-chlorophenyl)-3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl)hydrazineyl)-6-oxo-1,6-dihydro-1,2,4-triazine-3-carboxylate
Wiley ID 1807930