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4-(2-Chlorophenyl)-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID Bhy5j7MuyEU
InChI InChI=1S/C19H19ClF3NO4/c1-4-27-17(25)13-10(3)24-16(19(21,22)23)15(18(26)28-5-2)14(13)11-8-6-7-9-12(11)20/h6-9,14,24H,4-5H2,1-3H3
InChIKey JACYYGISUHQSFT-UHFFFAOYSA-N
Mol Weight 417.81 g/mol
Molecular Formula C19H19ClF3NO4
Exact Mass 417.09547 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LL1UQJIySin
Name 4-(2-Chlorophenyl)-2-methyl-6-(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 417.095470281 u
Formula C19H19ClF3NO4
InChI InChI=1S/C19H19ClF3NO4/c1-4-27-17(25)13-10(3)24-16(19(21,22)23)15(18(26)28-5-2)14(13)11-8-6-7-9-12(11)20/h6-9,14,24H,4-5H2,1-3H3
InChIKey JACYYGISUHQSFT-UHFFFAOYSA-N
Molecular Weight 417.812 g/mol
SMILES C1(=C(C(C(=C(N1)C(F)(F)F)C(=O)OCC)C=1C(=CC=CC1)Cl)C(=O)OCC)C