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7-METHYL-MERCAPTO-4-(4'-METHYLPHENYL)-[1,2,4]-TRIAZOLO-[3,2-C]-[1,2,4]-TRIAZIN-3-YL-PHOSPHONIC-ACID-DIETHYLESTER
SpectraBase Compound ID IZ6g1WpWK95
InChI InChI=1S/C16H20N5O3PS/c1-5-23-25(22,24-6-2)14-13(12-9-7-11(3)8-10-12)21-15(19-18-14)17-16(20-21)26-4/h7-10H,5-6H2,1-4H3
InChIKey BBKMIUDDSFFZLW-UHFFFAOYSA-N
Mol Weight 393.4 g/mol
Molecular Formula C16H20N5O3PS
Exact Mass 393.102448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZ9a24As6ze
Name 7-Methymercapto-4-(4'-methylphenyl)[1,2,4]triazolo[3,2-c][1,2,4]triazin-3-ylphosphonic acid diethyl ester
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Formula C16H20N5O3PS
InChI InChI=1S/C16H20N5O3PS/c1-5-23-25(22,24-6-2)14-13(12-9-7-11(3)8-10-12)21-15(19-18-14)17-16(20-21)26-4/h7-10H,5-6H2,1-4H3
InChIKey BBKMIUDDSFFZLW-UHFFFAOYSA-N
Molecular Weight 393.402 g/mol
SMILES c12[n](nc(n2)SC)C(=C(N=N1)P(=O)(OCC)OCC)c1ccc(cc1)C
SPLASH splash10-0006-2398000000-0c8cfd14bee0d494425c
Source of Spectrum H1-51-534-15
Synonyms 3-Diethoxyphosphoryl-4-(4-methylphenyl)-7-(methylthio)-[1,2,4]triazolo[5,1-c][1,2,4]triazine 3-Diethoxyphosphoryl-7-methylsulfanyl-4-(p-tolyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine 3-Diethoxyphosphoryl-4-(4-methylphenyl)-7-methylsulfanyl-[1,2,4]triazolo[5,1-c][1,2,4]triazine
Wiley ID 817099