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5-[(E)-2-(METHOXYCARBONYL)-VINYL]-1-METHYL-2-[((1-METHYL-2-INDOLYL)-CARBONYL)-METHYL]-3-(TRIFLUOROACETYL)-1,2-DIHYDROPYRIDINE

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5-[(E)-2-(METHOXYCARBONYL)-VINYL]-1-METHYL-2-[((1-METHYL-2-INDOLYL)-CARBONYL)-METHYL]-3-(TRIFLUOROACETYL)-1,2-DIHYDROPYRIDINE
SpectraBase Compound ID 2MsrClBcnnA
InChI InChI=1S/C23H21F3N2O4/c1-27-13-14(8-9-21(30)32-3)10-16(22(31)23(24,25)26)18(27)12-20(29)19-11-15-6-4-5-7-17(15)28(19)2/h4-11,13,18H,12H2,1-3H3/b9-8+
InChIKey WGWOIPCQCGJKPA-CMDGGOBGSA-N
Mol Weight 446.43 g/mol
Molecular Formula C23H21F3N2O4
Exact Mass 446.145342 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3N2LaJ5oa6q
Name 5-[(E)-2-(METHOXYCARBONYL)-VINYL]-1-METHYL-2-[((1-METHYL-2-INDOLYL)-CARBONYL)-METHYL]-3-(TRIFLUOROACETYL)-1,2-DIHYDROPYRIDINE
Compound Number 13D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H21F3N2O4
InChI InChI=1S/C23H21F3N2O4/c1-27-13-14(8-9-21(30)32-3)10-16(22(31)23(24,25)26)18(27)12-20(29)19-11-15-6-4-5-7-17(15)28(19)2/h4-11,13,18H,12H2,1-3H3/b9-8+
InChIKey WGWOIPCQCGJKPA-CMDGGOBGSA-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 446.426 g/mol
Solvent CDCl3
Source File Reference UWMZ2713