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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-, ethyl ester
SpectraBase Compound ID IgRa4HK0R9
InChI InChI=1S/C14H13N9O3/c1-2-25-14(24)11-10(23(21-17-11)13-12(15)18-26-19-13)7-22-9-6-4-3-5-8(9)16-20-22/h3-6H,2,7H2,1H3,(H2,15,18)
InChIKey YQTGFLMULQDSMU-UHFFFAOYSA-N
Mol Weight 355.32 g/mol
Molecular Formula C14H13N9O3
Exact Mass 355.114135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDeQirZrxic
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1-benzotriazolylmethyl)-4-triazolecarboxylic acid ethyl ester
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Formula C14H13N9O3
InChI InChI=1S/C14H13N9O3/c1-2-25-14(24)11-10(23(21-17-11)13-12(15)18-26-19-13)7-22-9-6-4-3-5-8(9)16-20-22/h3-6H,2,7H2,1H3,(H2,15,18)
InChIKey YQTGFLMULQDSMU-UHFFFAOYSA-N
Molecular Weight 355.318 g/mol
SMILES Nc1c(-[n]2c(c(C(=O)OCC)nn2)C[n]2nnc3c2cccc3)non1
SPLASH splash10-0fb9-9710000000-8148010a45721fd1f831
Synonyms 1-(4-aminofurazan-3-yl)-5-(benzotriazol-1-ylmethyl)triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-1,2,3-benzotriazol-1-ylmethyl)-1H-1,2,3-triazole-4-carboxylate Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzotriazol-1-ylmethyl)triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-(benzotriazol-1-ylmethyl)-1,2,3-triazole-4-carboxylate
Wiley ID 1445014