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3-CYANO-1-METHYL-4-[((1-METHYL-2-INDOLYL)-CARBONYL)-METHYL]-5-(TRICHLOROACETYL)-1,4-DIHYDROPYRIDINE
SpectraBase Compound ID uWqaejLl30
InChI InChI=1S/C20H16Cl3N3O2/c1-25-10-13(9-24)14(15(11-25)19(28)20(21,22)23)8-18(27)17-7-12-5-3-4-6-16(12)26(17)2/h3-7,10-11,14H,8H2,1-2H3
InChIKey JSJORYAAUANOGJ-UHFFFAOYSA-N
Mol Weight 436.73 g/mol
Molecular Formula C20H16Cl3N3O2
Exact Mass 435.03081 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8sbjxz7QHFd
Name 3-CYANO-1-METHYL-4-[((1-METHYL-2-INDOLYL)-CARBONYL)-METHYL]-5-(TRICHLOROACETYL)-1,4-DIHYDROPYRIDINE
Compound Number 20E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H16Cl3N3O2
InChI InChI=1S/C20H16Cl3N3O2/c1-25-10-13(9-24)14(15(11-25)19(28)20(21,22)23)8-18(27)17-7-12-5-3-4-6-16(12)26(17)2/h3-7,10-11,14H,8H2,1-2H3
InChIKey JSJORYAAUANOGJ-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 436.725 g/mol
Solvent DMSO-D6
Source File Reference UWMZ2732