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5,8-ETHANO-1-(PARA-CHLOROBENZYL)-2,2-DIMETHYL-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE-IODIDE
SpectraBase Compound ID JGqBvPosgyW
InChI InChI=1S/C20H27ClN.HI/c1-22(2)12-11-18-15-5-7-16(8-6-15)20(18)19(22)13-14-3-9-17(21)10-4-14;/h3-4,9-10,15-16,19H,5-8,11-13H2,1-2H3;1H/q+1;/p-1/t15-,16+,19?;
InChIKey OIPIANHOUDBDRO-XDTGIFKXSA-M
Mol Weight 443.8 g/mol
Molecular Formula C20H27ClIN
Exact Mass 443.087673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HnRnzzETuM
Name 5,8-ETHANO-1-(PARA-CHLOROBENZYL)-2,2-DIMETHYL-1,2,3,4,5,6,7,8-OCTAHYDROISOQUINOLINE-IODIDE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H27ClIN
InChI InChI=1S/C20H27ClN.HI/c1-22(2)12-11-18-15-5-7-16(8-6-15)20(18)19(22)13-14-3-9-17(21)10-4-14;/h3-4,9-10,15-16,19H,5-8,11-13H2,1-2H3;1H/q+1;/p-1/t15-,16+,19?;
InChIKey OIPIANHOUDBDRO-XDTGIFKXSA-M
Literature Reference Author S.L.SAHA,V.F.ROCHE,K.PENDOLA,M.KEARLEY,L.LEI,K.J.ROMSTEDT,M. HERDMAN,G.SHAMS,V.KA
Literature Reference Citation BIOORG.MED.CHEM.,10,2779(2002)
Literature Reference DOI 10.1016/S0968-0896(02)00101-3
Molecular Weight 443.799 g/mol
Solvent CDCl3
Source File Reference UWSI24368