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(3R/S)-3-CHLOROMETHYL-6-HYDROXY-1-(5',6',7'-TRIMETHOXY-INDOL-2'-YL-CARBONYL)-2,3-DIHYDRO-1H-INDOLE
SpectraBase Compound ID 8sqPsM7uOyp
InChI InChI=1S/C21H21ClN2O5/c1-27-17-7-11-6-15(23-18(11)20(29-3)19(17)28-2)21(26)24-10-12(9-22)14-5-4-13(25)8-16(14)24/h4-8,12,23,25H,9-10H2,1-3H3
InChIKey KFMLAUJMEDHHPN-UHFFFAOYSA-N
Mol Weight 416.86 g/mol
Molecular Formula C21H21ClN2O5
Exact Mass 416.113899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G9CeDbKcrl7
Name (3R/S)-3-CHLOROMETHYL-6-HYDROXY-1-(5',6',7'-TRIMETHOXY-INDOL-2'-YL-CARBONYL)-2,3-DIHYDRO-1H-INDOLE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21ClN2O5
InChI InChI=1S/C21H21ClN2O5/c1-27-17-7-11-6-15(23-18(11)20(29-3)19(17)28-2)21(26)24-10-12(9-22)14-5-4-13(25)8-16(14)24/h4-8,12,23,25H,9-10H2,1-3H3
InChIKey KFMLAUJMEDHHPN-UHFFFAOYSA-N
Literature Reference Author L.F.TIETZE,M.LIEB,T.HERZIG,F.HAUNERT,I.SCHUBERTH
Literature Reference Citation BIOORG.MED.CHEM.,9,1929(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00098-0
Molecular Weight 416.861 g/mol
Solvent CDCl3:DMSO-D6=4:1
Source File Reference UWMS22048