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8-NITRO-1-METHYL-9H-PYRIDO-[3,4-B]-INDOLE-(8-NITROHARMANE)
SpectraBase Compound ID KfHSYwvQbnF
InChI InChI=1S/C12H9N3O2/c1-7-11-9(5-6-13-7)8-3-2-4-10(15(16)17)12(8)14-11/h2-6,14H,1H3
InChIKey VTCFRLVPCJMFDM-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C12H9N3O2
Exact Mass 227.069477 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7GQQzTl9a8V
Name 8-NITRO-1-METHYL-9H-PYRIDO-[3,4-B]-INDOLE-(8-NITROHARMANE)
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9N3O2
InChI InChI=1S/C12H9N3O2/c1-7-11-9(5-6-13-7)8-3-2-4-10(15(16)17)12(8)14-11/h2-6,14H,1H3
InChIKey VTCFRLVPCJMFDM-UHFFFAOYSA-N
Literature Reference Author M.A.PONCE,R.ERRA-BALSELLS
Literature Reference Citation J.HETCYCL.CHEM.,38,1071(2001)
Literature Reference DOI 10.1002/jhet.5570380510
Molecular Weight 227.222 g/mol
Solvent DMSO-D6
Source File Reference UWLU21440