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Methyl 1-(4-cyanophenyl)-5-(2-(4-cyanophenyl)-2-(1-(4-cyanophenyl)-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-cyanophenyl)-5-(2-(4-cyanophenyl)-2-(1-(4-cyanophenyl)-3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl)hydrazinyl)-6-oxo-1,6-dihydro-1,2,4-triazine-3-carboxylate
SpectraBase Compound ID JABE5aIGpOU
InChI InChI=1S/C30H19N11O5/c1-45-28(43)25-34-24(27(42)39(37-25)21-9-3-18(15-31)4-10-21)36-40(22-11-5-19(16-32)6-12-22)30-35-26(29(44)46-2)38-41(30)23-13-7-20(17-33)8-14-23/h3-14H,1-2H3,(H,34,36,37)
InChIKey LQOLTAYVNBVMPP-UHFFFAOYSA-N
Mol Weight 613.55 g/mol
Molecular Formula C30H19N11O5
Exact Mass 613.157063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GAOgUMhZxig
Name Methyl 1-(4-cyanophenyl)-5-(2-(4-cyanophenyl)-2-(1-(4-cyanophenyl)-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 C30H19N11O5
InChI InChI=1S/C30H19N11O5/c1-45-28(43)25-34-24(27(42)39(37-25)21-9-3-18(15-31)4-10-21)36-40(22-11-5-19(16-32)6-12-22)30-35-26(29(44)46-2)38-41(30)23-13-7-20(17-33)8-14-23/h3-14H,1-2H3,(H,34,36,37)
InChIKey LQOLTAYVNBVMPP-UHFFFAOYSA-N
Molecular Weight 613.554 g/mol
SMILES N(N(c1[n](nc(n1)C(=O)OC)-c1ccc(cc1)C#N)c1ccc(cc1)C#N)C1=NC(=NN(C1=O)c1ccc(cc1)C#N)C(=O)OC
SPLASH splash10-03di-0000009000-64c9bf2206deef9025c7
Source of Spectrum AJO-6-1475-3k
Synonyms Methyl 1-(4-cyanophenyl)-5-(2-(4-cyanophenyl)-2-(1-(4-cyanophenyl)-3-(methoxycarbonyl)-1H-1,2,4-triazol-5-yl)hydrazineyl)-6-oxo-1,6-dihydro-1,2,4-triazine-3-carboxylate
Wiley ID 1807933