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(TRANS)-(4R,6S,7S,8S,8AS)-6-ETHYL-7,8-DIHYDROXY-4-METHYLOCTAHYDRO-INDOLIZINIUM-IODIDE
SpectraBase Compound ID 2Th8LjR78jq
InChI InChI=1S/C11H22NO2.HI/c1-3-8-7-12(2)6-4-5-9(12)11(14)10(8)13;/h8-11,13-14H,3-7H2,1-2H3;1H/q+1;/p-1/t8-,9-,10+,11-,12?;/m0./s1
InChIKey KLQKLFZQKSDIEZ-DSTGQELKSA-M
Mol Weight 327.21 g/mol
Molecular Formula C11H22INO2
Exact Mass 327.069524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JEn9KDuo5Ba
Name (TRANS)-(4R,6S,7S,8S,8AS)-6-ETHYL-7,8-DIHYDROXY-4-METHYLOCTAHYDRO-INDOLIZINIUM-IODIDE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H22INO2
InChI InChI=1S/C11H22NO2.HI/c1-3-8-7-12(2)6-4-5-9(12)11(14)10(8)13;/h8-11,13-14H,3-7H2,1-2H3;1H/q+1;/p-1/t8-,9-,10+,11-,12?;/m0./s1
InChIKey KLQKLFZQKSDIEZ-DSTGQELKSA-M
Literature Reference Author P.SAFAR,J.ZUZIOVA,S.MARCHLIN,N.PRONAYOVA,L.SVORC,V.VRABEL,S. SESTAK,D.RENDIC,V.TO
Literature Reference Citation EUR.J.ORG.CHEM.,2012,5498(2012)
Literature Reference DOI 10.1002/ejoc.201200431
Molecular Weight 327.206 g/mol
Solvent CD3OD
Source File Reference UWLU83747