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5-Amino-1-benzyl-1H-[1,2,3]triazole-4-carboxylic acid (4-trifluoromethoxy-phenyl)-amide
SpectraBase Compound ID Dj6AGSa9hbM
InChI InChI=1S/C17H14F3N5O2/c18-17(19,20)27-13-8-6-12(7-9-13)22-16(26)14-15(21)25(24-23-14)10-11-4-2-1-3-5-11/h1-9H,10,21H2,(H,22,26)
InChIKey DUGIYQFGHXKLOI-UHFFFAOYSA-N
Mol Weight 377.33 g/mol
Molecular Formula C17H14F3N5O2
Exact Mass 377.109959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuenTgjln5S
Name 5-Amino-1-benzyl-1H-[1,2,3]triazole-4-carboxylic acid (4-trifluoromethoxy-phenyl)-amide
Alternate Name(s) 5-Amino-1-(phenylmethyl)-N-[4-(trifluoromethoxy)phenyl]-4-triazolecarboxamide 5-Amino-1-benzyl-N-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxamide 5-Amino-1-benzyl-N-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide 5-Azanyl-1-(phenylmethyl)-N-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazole-4-carboxamide
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Formula C17H14F3N5O2
InChI InChI=1S/C17H14F3N5O2/c18-17(19,20)27-13-8-6-12(7-9-13)22-16(26)14-15(21)25(24-23-14)10-11-4-2-1-3-5-11/h1-9H,10,21H2,(H,22,26)
InChIKey DUGIYQFGHXKLOI-UHFFFAOYSA-N
Molecular Weight 377.327 g/mol
SMILES Nc1c(C(Nc2ccc(OC(F)(F)F)cc2)=O)nn[n]1Cc1ccccc1
SPLASH splash10-000x-8911000000-fa5c57c43765d001c536
Wiley ID 1437532