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3-(METHOXYCARBONYL)-1-METHYL-4-[((1-METHYL-2-INDOLYL)-CARBONYL)-METHYL]-5-(TRIFLUOROACETYL)-1,4-DIHYDROPYRIDINE
SpectraBase Compound ID 3LMLfiJmvry
InChI InChI=1S/C21H19F3N2O4/c1-25-10-14(19(28)21(22,23)24)13(15(11-25)20(29)30-3)9-18(27)17-8-12-6-4-5-7-16(12)26(17)2/h4-8,10-11,13H,9H2,1-3H3
InChIKey DVQBFFBPSCLYOJ-UHFFFAOYSA-N
Mol Weight 420.39 g/mol
Molecular Formula C21H19F3N2O4
Exact Mass 420.129692 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L1KxwJPkIz6
Name 3-(METHOXYCARBONYL)-1-METHYL-4-[((1-METHYL-2-INDOLYL)-CARBONYL)-METHYL]-5-(TRIFLUOROACETYL)-1,4-DIHYDROPYRIDINE
Compound Number 19C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19F3N2O4
InChI InChI=1S/C21H19F3N2O4/c1-25-10-14(19(28)21(22,23)24)13(15(11-25)20(29)30-3)9-18(27)17-8-12-6-4-5-7-16(12)26(17)2/h4-8,10-11,13H,9H2,1-3H3
InChIKey DVQBFFBPSCLYOJ-UHFFFAOYSA-N
Literature Reference Author M.L.BENNASAR,B.VIDAL,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,60,4280(1995)
Literature Reference DOI 10.1021/jo00118a055
Molecular Weight 420.388 g/mol
Solvent CDCl3
Source File Reference UWMZ2726