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1-(2-thenyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID GEstQzdkYFn
InChI InChI=1S/C21H18F3NO4S/c1-28-19(26)16-11-25(10-15-4-3-9-30-15)12-17(20(27)29-2)18(16)13-5-7-14(8-6-13)21(22,23)24/h3-9,11-12,18H,10H2,1-2H3
InChIKey QZEIOFYKJGHXGF-UHFFFAOYSA-N
Mol Weight 437.43 g/mol
Molecular Formula C21H18F3NO4S
Exact Mass 437.090864 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9soELGvoPM7
Name 1-(2-thenyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 1-(2-thienylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate Dimethyl 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethyl)phenyl]-4H-pyridine-3,5-dicarboxylate
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Formula C21H18F3NO4S
InChI InChI=1S/C21H18F3NO4S/c1-28-19(26)16-11-25(10-15-4-3-9-30-15)12-17(20(27)29-2)18(16)13-5-7-14(8-6-13)21(22,23)24/h3-9,11-12,18H,10H2,1-2H3
InChIKey QZEIOFYKJGHXGF-UHFFFAOYSA-N
Molecular Weight 437.433 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)Cc1sccc1)c1ccc(C(F)(F)F)cc1)C(=O)OC
SPLASH splash10-0002-9120000000-8abf2affcb5f3fdaeed7
Wiley ID 1455289