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2-[2-(1,3-DIOXOLANYL)]-4-ETHYL-5-METHYL-1,2,4,6,7,12,12B-OCTAHYDROINDOLO-[2.3-A]-QUINOLIZINIUM_IODIDE;MAJOR_ISOMER
SpectraBase Compound ID 1rk793DsKK9
InChI InChI=1S/C21H29N2O2.HI/c1-3-15-12-14(21-24-10-11-25-21)13-19-20-17(8-9-23(15,19)2)16-6-4-5-7-18(16)22-20;/h4-7,14-15,19,21-22H,3,8-13H2,1-2H3;1H/q+1;/p-1/t14-,15+,19+,23+;/m1./s1
InChIKey JRLOLARCIMOMNR-XTLYRHQZSA-M
Mol Weight 468.38 g/mol
Molecular Formula C21H29IN2O2
Exact Mass 468.127373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Y674GLRubP
Name 2-[2-(1,3-DIOXOLANYL)]-4-ETHYL-5-METHYL-1,2,4,6,7,12,12B-OCTAHYDROINDOLO-[2.3-A]-QUINOLIZINIUM_IODIDE;MAJOR_ISOMER
Compound Number 32-A-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H29IN2O2
InChI InChI=1S/C21H29N2O2.HI/c1-3-15-12-14(21-24-10-11-25-21)13-19-20-17(8-9-23(15,19)2)16-6-4-5-7-18(16)22-20;/h4-7,14-15,19,21-22H,3,8-13H2,1-2H3;1H/q+1;/p-1/t14-,15+,19+,23+;/m1./s1
InChIKey JRLOLARCIMOMNR-XTLYRHQZSA-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 468.378 g/mol
Sample ID 27329
Solvent CDCl3