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4H-[1,2,3]Triazolo[4,5-b]pyridine-7-carboxylic acid, 6-(4-fluorobenzoyl)-5-phenyl-5,7a-dihydro-, methyl ester
SpectraBase Compound ID 7hLQ7S4K2ln
InChI InChI=1S/C20H15FN4O3/c1-28-20(27)15-14(18(26)12-7-9-13(21)10-8-12)16(11-5-3-2-4-6-11)22-19-17(15)23-25-24-19/h2-10,16-17H,1H3,(H,22,23,24)
InChIKey WXVKFKNNYIHGFT-UHFFFAOYSA-N
Mol Weight 378.36 g/mol
Molecular Formula C20H15FN4O3
Exact Mass 378.112819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gb7FzWsg0gq
Name 4H-[1,2,3]Triazolo[4,5-b]pyridine-7-carboxylic acid, 6-(4-fluorobenzoyl)-5-phenyl-5,7a-dihydro-, methyl ester
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Formula C20H15FN4O3
InChI InChI=1S/C20H15FN4O3/c1-28-20(27)15-14(18(26)12-7-9-13(21)10-8-12)16(11-5-3-2-4-6-11)22-19-17(15)23-25-24-19/h2-10,16-17H,1H3,(H,22,23,24)
InChIKey WXVKFKNNYIHGFT-UHFFFAOYSA-N
Molecular Weight 378.363 g/mol
SMILES N1C(C(=C(C2C1=NN=N2)C(=O)OC)C(c1ccc(cc1)F)=O)c1ccccc1
SPLASH splash10-00dj-8932000000-22836713707d778bb1b1
Synonyms 6-(4-fluorobenzoyl)-5-phenyl-5,7a-dihydro-3H-triazolo[4,5-b]pyridine-7-carboxylic acid methyl ester 6-[(4-fluorophenyl)-oxomethyl]-5-phenyl-5,7a-dihydro-3H-triazolo[4,5-b]pyridine-7-carboxylic acid methyl ester Methyl 6-(4-fluorobenzoyl)-5-phenyl-5,7a-dihydro-3H-triazolo[4,5-b]pyridine-7-carboxylate Methyl 6-(4-fluorophenyl)carbonyl-5-phenyl-5,7a-dihydro-3H-[1,2,3]triazolo[4,5-b]pyridine-7-carboxylate
Wiley ID 1441885