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4-[(E)-2-phenylethenyl]-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
SpectraBase Compound ID 89t49ZByc5k
InChI InChI=1S/C21H19F6NO4/c1-3-31-18(29)14-13(11-10-12-8-6-5-7-9-12)15(19(30)32-4-2)17(21(25,26)27)28-16(14)20(22,23)24/h5-11,13,28H,3-4H2,1-2H3/b11-10+
InChIKey MRAOLUQARRQCKZ-ZHACJKMWSA-N
Mol Weight 463.38 g/mol
Molecular Formula C21H19F6NO4
Exact Mass 463.121827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94eP8wkB4AH
Name 4-[(E)-2-phenylethenyl]-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
Alternate Name(s) 4-[(E)-styryl]-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Diethyl 4-[(E)-2-phenylethenyl]-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate Diethyl 4-[(E)-styryl]-2,6-bis(trifluoromethyl)-1,4-dihydropyridine-3,5-dicarboxylate
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Formula C21H19F6NO4
InChI InChI=1S/C21H19F6NO4/c1-3-31-18(29)14-13(11-10-12-8-6-5-7-9-12)15(19(30)32-4-2)17(21(25,26)27)28-16(14)20(22,23)24/h5-11,13,28H,3-4H2,1-2H3/b11-10+
InChIKey MRAOLUQARRQCKZ-ZHACJKMWSA-N
Molecular Weight 463.376 g/mol
SMILES N1C(=C(C(C(=C1C(F)(F)F)C(=O)OCC)\C=C\c1ccccc1)C(=O)OCC)C(F)(F)F
SPLASH splash10-014i-0932100000-3e228389647cb6c78e70
Source of Spectrum SO-0-58-7
Wiley ID 1611819