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1-DICHLOROMETHYLENE-2-FORMYL-1,2,3,4-TETRAHYDRO-9H-PYRIDO-[3,4-B]-INDOLE;ISOMER-A
SpectraBase Compound ID KdNuxwDAtLR
InChI InChI=1S/2C13H10Cl2N2O/c2*14-13(15)12-11-9(5-6-17(12)7-18)8-3-1-2-4-10(8)16-11/h2*1-4,7,16H,5-6H2
InChIKey KKUKQZQWXVYAGG-UHFFFAOYSA-N
Mol Weight 562.28 g/mol
Molecular Formula C26H20Cl4N4O2
Exact Mass 560.034037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 60AeiZqiLF8
Name 1-DICHLOROMETHYLENE-2-FORMYL-1,2,3,4-TETRAHYDRO-9H-PYRIDO-[3,4-B]-INDOLE;ISOMER-B
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H20Cl4N4O2
InChI InChI=1S/2C13H10Cl2N2O/c2*14-13(15)12-11-9(5-6-17(12)7-18)8-3-1-2-4-10(8)16-11/h2*1-4,7,16H,5-6H2
InChIKey KKUKQZQWXVYAGG-UHFFFAOYSA-N
Literature Reference Author G.BRIGMANN,D.FEINEIS,R.GOD,K.PETERS,E.M.PETERS,J.SCHOLZ,F.RI EDERER,A.MOSER
Literature Reference Citation BIOORG.MED.CHEM.,10,2207(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00060-3
Molecular Weight 562.282 g/mol
Solvent DMSO-D6
Source File Reference UWVN28443