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 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
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 |