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4-[(2-INDOLYLCARBONYL)-METHYL]-3-(METHOXYCARBONYL)-1-METHYL-5-(TRICHLOROACETYL)-1,4-DIHYDROPYRIDINE
SpectraBase Compound ID IzBH0b9VIUE
InChI InChI=1S/C20H17Cl3N2O4/c1-25-9-13(18(27)20(21,22)23)12(14(10-25)19(28)29-2)8-17(26)16-7-11-5-3-4-6-15(11)24-16/h3-7,9-10,12,24H,8H2,1-2H3
InChIKey WYEFGLUHYNHDMX-UHFFFAOYSA-N
Mol Weight 455.73 g/mol
Molecular Formula C20H17Cl3N2O4
Exact Mass 454.02539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gIUKI7wss1
Name 4-[(2-INDOLYLCARBONYL)-METHYL]-3-(METHOXYCARBONYL)-1-METHYL-5-(TRICHLOROACETYL)-1,4-DIHYDROPYRIDINE
Compound Number 21C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H17Cl3N2O4
InChI InChI=1S/C20H17Cl3N2O4/c1-25-9-13(18(27)20(21,22)23)12(14(10-25)19(28)29-2)8-17(26)16-7-11-5-3-4-6-15(11)24-16/h3-7,9-10,12,24H,8H2,1-2H3
InChIKey WYEFGLUHYNHDMX-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 455.725 g/mol
Solvent DMSO-D6
Source File Reference UWMZ2734