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THEBAINE-METHYLIODIDE

View entire compound with spectra: 1 NMR

THEBAINE-METHYLIODIDE
SpectraBase Compound ID FsCyO0RyU97
InChI InChI=1S/C20H24NO3.HI/c1-21(2)10-9-20-13-6-8-16(23-4)19(20)24-18-15(22-3)7-5-12(17(18)20)11-14(13)21;/h5-8,14,19H,9-11H2,1-4H3;1H/q+1;/p-1/t14-,19?,20+;/m0./s1
InChIKey ZRTACCALUAQITL-HXZROTLISA-M
Mol Weight 453.32 g/mol
Molecular Formula C20H24INO3
Exact Mass 453.080089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1HXrWlp8DQ8
Name THEBAINE-METHYLIODIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H24INO3
InChI InChI=1S/C20H24NO3.HI/c1-21(2)10-9-20-13-6-8-16(23-4)19(20)24-18-15(22-3)7-5-12(17(18)20)11-14(13)21;/h5-8,14,19H,9-11H2,1-4H3;1H/q+1;/p-1/t14-,19?,20+;/m0./s1
InChIKey ZRTACCALUAQITL-HXZROTLISA-M
Literature Reference Author G.W.CALDWELL,A.D.GAUTHIER,J.E.MILLS
Literature Reference Citation MAGN.RES.CHEM.,34,505(1996)
Literature Reference DOI 10.1002/(sici)1097-458x(199607)34:7<505::aid-omr913>3.0.co;2-y
Molecular Weight 453.320 g/mol
Solvent CDCl3
Source File Reference UWRK3819