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2-METHYL-9-[9-(2-METHYL-BETA-CARBOLINE-9-YL)-NONYL]-BETA-CARBOLINE-2-IUM_DIIODIDE
SpectraBase Compound ID Jen2P159Gfr
InChI InChI=1S/C33H38N4.2HI/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37;;/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3;2*1H/q+2;;/p-2
InChIKey XMKDGHAPOACCAU-UHFFFAOYSA-L
Mol Weight 744.50395 g/mol
Molecular Formula C33H38I2N4
Exact Mass 744.118587 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYP98e67TeU
Name 2-METHYL-9-[9-(2-METHYL-BETA-CARBOLINE-9-YL)-NONYL]-BETA-CARBOLINE-2-IUM_DIIODIDE
Compound Number 22B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H38I2N4
InChI InChI=1S/C33H38N4.2HI/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37;;/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3;2*1H/q+2;;/p-2
InChIKey XMKDGHAPOACCAU-UHFFFAOYSA-L
Literature Reference Author Y.ROOK,K.U.SCHMIDTKE,F.GAUBE,D.SCHEPMANN,B.WUENSCH,J.HEILMAN N,J.LEHMANN,TR
Literature Reference Citation J.MED.CHEM.,53,3611(2010)
Literature Reference DOI 10.1021/jm1000024
Molecular Weight 744.501 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46001