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6,7,14-TRIHYDRO-5-METHYL-BIS-[1,3]-BENZODIOXOLO-[4,5-C:5',6'-G]-AZECIN-4,13(5H)-DIONE-HYDROIODIDE
SpectraBase Compound ID 8jA7FM36Z3S
InChI InChI=1S/C20H17NO6.HI/c1-21-5-4-11-7-16-17(26-9-25-16)8-13(11)14(22)6-12-2-3-15-19(27-10-24-15)18(12)20(21)23;/h2-3,7-8H,4-6,9-10H2,1H3;1H
InChIKey TYXTWIILMPFWFZ-UHFFFAOYSA-N
Mol Weight 495.27 g/mol
Molecular Formula C20H18INO6
Exact Mass 495.017882 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATCq4FPnnzL
Name 6,7,14-TRIHYDRO-5-METHYL-BIS-[1,3]-BENZODIOXOLO-[4,5-C:5',6'-G]-AZECIN-4,13(5H)-DIONE-HYDROIODIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H18INO6
InChI InChI=1S/C20H17NO6.HI/c1-21-5-4-11-7-16-17(26-9-25-16)8-13(11)14(22)6-12-2-3-15-19(27-10-24-15)18(12)20(21)23;/h2-3,7-8H,4-6,9-10H2,1H3;1H
InChIKey TYXTWIILMPFWFZ-UHFFFAOYSA-N
Literature Reference Author E.TABORSKA,H.BOCHORAKOVA,P.SEDMERA,I.VALKA,V.SIMANEK
Literature Reference Citation HETEROCYCLES,41,799(1995)
Literature Reference DOI 10.3987/COM-94-7006
Molecular Weight 495.271 g/mol
Solvent DMSO-D6
Source File Reference UWCP5671