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5-Amino-1-(4-methoxybenzyl)-N-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxamide
SpectraBase Compound ID 5EOlwY8x87Z
InChI InChI=1S/C18H16F3N5O3/c1-28-13-6-2-11(3-7-13)10-26-16(22)15(24-25-26)17(27)23-12-4-8-14(9-5-12)29-18(19,20)21/h2-9H,10,22H2,1H3,(H,23,27)
InChIKey ULNIZAHAEQTKTD-UHFFFAOYSA-N
Mol Weight 407.35 g/mol
Molecular Formula C18H16F3N5O3
Exact Mass 407.120524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7QCtV1qc4iD
Name 5-Amino-1-(4-methoxybenzyl)-N-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-4-carboxamide
Alternate Name(s) 5-Amino-1-p-anisyl-N-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide 5-Amino-1-[(4-methoxyphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]-4-triazolecarboxamide 5-Amino-1-[(4-methoxyphenyl)methyl]-N-[4-(trifluoromethoxy)phenyl]triazole-4-carboxamide 5-Azanyl-1-[(4-methoxyphenyl)methyl]-N-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazole-4-carboxamide
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Formula C18H16F3N5O3
InChI InChI=1S/C18H16F3N5O3/c1-28-13-6-2-11(3-7-13)10-26-16(22)15(24-25-26)17(27)23-12-4-8-14(9-5-12)29-18(19,20)21/h2-9H,10,22H2,1H3,(H,23,27)
InChIKey ULNIZAHAEQTKTD-UHFFFAOYSA-N
Molecular Weight 407.353 g/mol
SMILES Nc1c(C(Nc2ccc(OC(F)(F)F)cc2)=O)nn[n]1Cc1ccc(cc1)OC
SPLASH splash10-00di-1900000000-fd08d0d2d267cfeac9e5
Wiley ID 1436343