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4,5,7-TRICHLORO-3A-HYDROXY-1-(4-METHYLPHENYL)-2-(4-METHYLPHENYLIMINO)-2,3,3A,6-TETRAHYDRO-1H-INDOL-6-ONE
SpectraBase Compound ID 1NB0c16beMJ
InChI InChI=1S/C22H17Cl3N2O2/c1-12-3-7-14(8-4-12)26-16-11-22(29)20(25)17(23)19(28)18(24)21(22)27(16)15-9-5-13(2)6-10-15/h3-10,29H,11H2,1-2H3/b26-16+
InChIKey AXRLVHONFXBHPB-WGOQTCKBSA-N
Mol Weight 447.75 g/mol
Molecular Formula C22H17Cl3N2O2
Exact Mass 446.035561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7Lmk3jB1AG
Name 4,5,7-TRICHLORO-3A-HYDROXY-1-(4-METHYLPHENYL)-2-(4-METHYLPHENYLIMINO)-2,3,3A,6-TETRAHYDRO-1H-INDOL-6-ONE
Compound Number 18B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H17Cl3N2O2
InChI InChI=1S/C22H17Cl3N2O2/c1-12-3-7-14(8-4-12)26-16-11-22(29)20(25)17(23)19(28)18(24)21(22)27(16)15-9-5-13(2)6-10-15/h3-10,29H,11H2,1-2H3/b26-16+
InChIKey AXRLVHONFXBHPB-WGOQTCKBSA-N
Literature Reference Author D.DOEPP,M.A.M.GOMAA,G.HENKEL,A.M.N.EL-DIN
Literature Reference Citation J.HETCYCL.CHEM.,32,603(1995)
Literature Reference DOI 10.1002/jhet.5570320240
Molecular Weight 447.748 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3235