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5-Trifluoromethyl-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
SpectraBase Compound ID CmHEHCFf4eC
InChI InChI=1S/C13H12F3N3O2/c1-2-21-12(20)10-11(13(14,15)16)19(18-17-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey NQFFBIZOIVLQQI-UHFFFAOYSA-N
Mol Weight 299.25 g/mol
Molecular Formula C13H12F3N3O2
Exact Mass 299.088161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EuSMp0TW5lY
Name 5-Trifluoromethyl-1-benzyl-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
Alternate Name(s) 1-(Phenylmethyl)-5-(trifluoromethyl)-4-triazolecarboxylic acid ethyl ester Ethyl 1-benzyl-5-(trifluoromethyl)triazole-4-carboxylate Ethyl 1-(phenylmethyl)-5-(trifluoromethyl)-1,2,3-triazole-4-carboxylate
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Formula C13H12F3N3O2
InChI InChI=1S/C13H12F3N3O2/c1-2-21-12(20)10-11(13(14,15)16)19(18-17-10)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey NQFFBIZOIVLQQI-UHFFFAOYSA-N
Molecular Weight 299.253 g/mol
SMILES c1(c(nn[n]1Cc1ccccc1)C(=O)OCC)C(F)(F)F
SPLASH splash10-0006-9100000000-cadbeeb51544189b19da
Source of Spectrum F-59-4401-5ca
Wiley ID 1678217