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2-[2-(1,3-DIOXOLANYL)]-5-METHYL-1,2,3,4,6,7,12,12B-OCTAHYDROINDOLO-[2.3-A]-QUINOLIZINIUM_IODIDE
SpectraBase Compound ID DDqPbmWe3aY
InChI InChI=1S/C19H25N2O2.HI/c1-21-8-6-13(19-22-10-11-23-19)12-17(21)18-15(7-9-21)14-4-2-3-5-16(14)20-18;/h2-5,13,17,19-20H,6-12H2,1H3;1H/q+1;/p-1/t13-,17+,21-;/m1./s1
InChIKey DSRUPNBNSBCBSL-IIFOAOIQSA-M
Mol Weight 440.33 g/mol
Molecular Formula C19H25IN2O2
Exact Mass 440.096073 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8aE0apUNBQD
Name 2-[2-(1,3-DIOXOLANYL)]-5-METHYL-1,2,3,4,6,7,12,12B-OCTAHYDROINDOLO-[2.3-A]-QUINOLIZINIUM_IODIDE
Compound Number 25-A-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H25IN2O2
InChI InChI=1S/C19H25N2O2.HI/c1-21-8-6-13(19-22-10-11-23-19)12-17(21)18-15(7-9-21)14-4-2-3-5-16(14)20-18;/h2-5,13,17,19-20H,6-12H2,1H3;1H/q+1;/p-1/t13-,17+,21-;/m1./s1
InChIKey DSRUPNBNSBCBSL-IIFOAOIQSA-M
Literature Reference Author J.BONJOCH,J.C.FERNANDEZ,N.VALLS
Literature Reference Citation J.ORG.CHEM.,63,7338(1998)
Literature Reference DOI 10.1021/jo980909o
Molecular Weight 440.324 g/mol
Sample ID 27327
Solvent DMSO-D6