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5-Methyl-1-(2-nitro-4-trifluoromethyl-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid methyl ester
SpectraBase Compound ID 11LSAZT7JEF
InChI InChI=1S/C12H9F3N4O4/c1-6-10(11(20)23-2)16-17-18(6)8-4-3-7(12(13,14)15)5-9(8)19(21)22/h3-5H,1-2H3
InChIKey GWUFYLKNFGEXHJ-UHFFFAOYSA-N
Mol Weight 330.22 g/mol
Molecular Formula C12H9F3N4O4
Exact Mass 330.057589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID NOpz26TSeO
Name 5-Methyl-1-(2-nitro-4-trifluoromethyl-phenyl)-1H-[1,2,3]triazole-4-carboxylic acid methyl ester
Alternate Name(s) 5-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-4-triazolecarboxylic acid methyl ester 5-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]triazole-4-carboxylic acid methyl ester Methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate Methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-4-carboxylate Methyl 5-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]triazole-4-carboxylate
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Formula C12H9F3N4O4
InChI InChI=1S/C12H9F3N4O4/c1-6-10(11(20)23-2)16-17-18(6)8-4-3-7(12(13,14)15)5-9(8)19(21)22/h3-5H,1-2H3
InChIKey GWUFYLKNFGEXHJ-UHFFFAOYSA-N
Molecular Weight 330.223 g/mol
SMILES c1cc(c(cc1C(F)(F)F)N(=O)=O)-[n]1nnc(c1C)C(OC)=O
SPLASH splash10-0006-9100000000-7d4dd4cfa91a091561b7
Wiley ID 1462957