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

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Methyl 5-(2-(3-(methoxycarbonyl)-1-phenyl-1H-1,2,4-triazol-5-yl)-2-phenylhydrazinyl)-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate
SpectraBase Compound ID 8hkM9vrvMMB
InChI InChI=1S/C27H22N8O5/c1-39-25(37)22-28-21(24(36)33(31-22)18-12-6-3-7-13-18)30-34(19-14-8-4-9-15-19)27-29-23(26(38)40-2)32-35(27)20-16-10-5-11-17-20/h3-17H,1-2H3,(H,28,30,31)
InChIKey HOUHEIKQYFMJBT-UHFFFAOYSA-N
Mol Weight 538.52 g/mol
Molecular Formula C27H22N8O5
Exact Mass 538.171316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID pHZMndKT3g
Name Methyl 5-(2-(3-(methoxycarbonyl)-1-phenyl-1H-1,2,4-triazol-5-yl)-2-phenylhydrazinyl)-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22N8O5
InChI InChI=1S/C27H22N8O5/c1-39-25(37)22-28-21(24(36)33(31-22)18-12-6-3-7-13-18)30-34(19-14-8-4-9-15-19)27-29-23(26(38)40-2)32-35(27)20-16-10-5-11-17-20/h3-17H,1-2H3,(H,28,30,31)
InChIKey HOUHEIKQYFMJBT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ajoc.201700271
Molecular Weight 538.524 g/mol
SMILES N(N(c1[n](nc(n1)C(=O)OC)-c1ccccc1)c1ccccc1)C1=NC(=NN(C1=O)c1ccccc1)C(=O)OC
SPLASH splash10-0553-9253180000-a2ed73a2cfaad586712c
Source of Spectrum AJO-6-1474-3a
Synonyms Methyl 5-(2-(3-(methoxycarbonyl)-1-phenyl-1H-1,2,4-triazol-5-yl)-2-phenylhydrazineyl)-6-oxo-1-phenyl-1,6-dihydro-1,2,4-triazine-3-carboxylate
Wiley ID 1807923