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1-[-(8-Trifluoromethyl)quinolin-4-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
SpectraBase Compound ID 8U58A04pUc3
InChI InChI=1S/C14H9F3N4O2/c1-7-11(13(22)23)19-20-21(7)10-5-6-18-12-8(10)3-2-4-9(12)14(15,16)17/h2-6H,1H3,(H,22,23)
InChIKey HGYFDVXOPFOQBS-UHFFFAOYSA-N
Mol Weight 322.25 g/mol
Molecular Formula C14H9F3N4O2
Exact Mass 322.06776 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AXqFddML50A
Name 1-[-(8-Trifluoromethyl)quinolin-4-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Alternate Name(s) 5-Methyl-1-(8-(trifluoromethyl)quinolin-4-yl)-1H-1,2,3-triazole-4-carboxylic acid 5-Methyl-1-[8-(trifluoromethyl)-4-quinolinyl]-4-triazolecarboxylic acid 5-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxylic acid 5-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]-1,2,3-triazole-4-carboxylic acid
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Formula C14H9F3N4O2
InChI InChI=1S/C14H9F3N4O2/c1-7-11(13(22)23)19-20-21(7)10-5-6-18-12-8(10)3-2-4-9(12)14(15,16)17/h2-6H,1H3,(H,22,23)
InChIKey HGYFDVXOPFOQBS-UHFFFAOYSA-N
Molecular Weight 322.247 g/mol
SMILES OC(c1c([n](nn1)-c1c2c(c(C(F)(F)F)ccc2)ncc1)C)=O
SPLASH splash10-00r2-0934000000-67176a095ac07a729537
Source of Spectrum EMC-40-1175-3
Wiley ID 1734978