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1H-1,2,3-triazole-4-carboxylic acid, 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-propyl-, ethyl ester
SpectraBase Compound ID K0cMIWIONLv
InChI InChI=1S/C15H15F3N4O4/c1-3-5-11-13(14(23)26-4-2)19-20-21(11)10-7-6-9(15(16,17)18)8-12(10)22(24)25/h6-8H,3-5H2,1-2H3
InChIKey FRLZQOOOWPBNJO-UHFFFAOYSA-N
Mol Weight 372.3 g/mol
Molecular Formula C15H15F3N4O4
Exact Mass 372.104539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APk9hugmkHC
Name 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-propyl-4-triazolecarboxylic acid ethyl ester
Alternate Name(s) 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-propyl-triazole-4-carboxylic acid ethyl ester Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-propyl-1,2,3-triazole-4-carboxylate Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-propyl-1H-1,2,3-triazole-4-carboxylate Ethyl 1-[2-nitro-4-(trifluoromethyl)phenyl]-5-propyl-triazole-4-carboxylate
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Formula C15H15F3N4O4
InChI InChI=1S/C15H15F3N4O4/c1-3-5-11-13(14(23)26-4-2)19-20-21(11)10-7-6-9(15(16,17)18)8-12(10)22(24)25/h6-8H,3-5H2,1-2H3
InChIKey FRLZQOOOWPBNJO-UHFFFAOYSA-N
Molecular Weight 372.304 g/mol
SMILES CCCc1c(C(=O)OCC)nn[n]1-c1c(N(=O)=O)cc(C(F)(F)F)cc1
SPLASH splash10-006x-9410000000-36d1bf904f8eada706fd
Wiley ID 1463243