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1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid
SpectraBase Compound ID IxkLdxrSs5t
InChI InChI=1S/C11H8N6O3/c12-9-10(15-20-14-9)17-8(6-4-2-1-3-5-6)7(11(18)19)13-16-17/h1-5H,(H2,12,14)(H,18,19)
InChIKey KHLKPBNYKKVIAM-UHFFFAOYSA-N
Mol Weight 272.22 g/mol
Molecular Formula C11H8N6O3
Exact Mass 272.065788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GpVrAWNwb9x
Name 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-phenyl-1H-1,2,3-triazole-4-carboxylic acid
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Formula C11H8N6O3
InChI InChI=1S/C11H8N6O3/c12-9-10(15-20-14-9)17-8(6-4-2-1-3-5-6)7(11(18)19)13-16-17/h1-5H,(H2,12,14)(H,18,19)
InChIKey KHLKPBNYKKVIAM-UHFFFAOYSA-N
Molecular Weight 272.224 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)O)nn2)-c2ccccc2)non1
SPLASH splash10-00mk-2910000000-ffa56fa83c176e5fd6ae
Synonyms 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-4-triazolecarboxylic acid 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyl-triazole-4-carboxylic acid 1-(4-Amino-furazan-3-yl)-5-phenyl-1H-[1,2,3]triazole-4-carboxylic acid 1-(4-aminofurazan-3-yl)-5-phenyl-triazole-4-carboxylic acid 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-phenyl-1,2,3-triazole-4-carboxylic acid
Wiley ID 1465972