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1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-4-triazolecarboxylic acid ethyl ester
SpectraBase Compound ID DzHeREIwqUb
InChI InChI=1S/C13H11ClN6O3/c1-2-22-13(21)9-10(7-5-3-4-6-8(7)14)20(19-16-9)12-11(15)17-23-18-12/h3-6H,2H2,1H3,(H2,15,17)
InChIKey QPSMFMXYGWSOSO-UHFFFAOYSA-N
Mol Weight 334.72 g/mol
Molecular Formula C13H11ClN6O3
Exact Mass 334.058116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dhVjigY2CD
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-4-triazolecarboxylic acid ethyl ester
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Formula C13H11ClN6O3
InChI InChI=1S/C13H11ClN6O3/c1-2-22-13(21)9-10(7-5-3-4-6-8(7)14)20(19-16-9)12-11(15)17-23-18-12/h3-6H,2H2,1H3,(H2,15,17)
InChIKey QPSMFMXYGWSOSO-UHFFFAOYSA-N
Molecular Weight 334.723 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)OCC)nn2)-c2c(Cl)cccc2)non1
SPLASH splash10-002f-8920000000-ab85c9f24723e2dbe7a4
Synonyms 1-(4-aminofurazan-3-yl)-5-(2-chlorophenyl)triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-1H-1,2,3-triazole-4-carboxylate Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(2-chlorophenyl)-1,2,3-triazole-4-carboxylate
Wiley ID 1511239