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(1S,2R,3R,9AS)-1,2-O-ISOPROPYLIDENE-3-METHYLSULFANYL-7,8-DIDEHYDRO-2H-QUINOLIZIDINE-1,2-DIOL
SpectraBase Compound ID 8JqaYI1e7H5
InChI InChI=1S/C13H21NO2S/c1-13(2)15-11-9-6-4-5-7-14(9)8-10(17-3)12(11)16-13/h4-5,9-12H,6-8H2,1-3H3/t9-,10+,11-,12+/m0/s1
InChIKey YKQOWXREUUUZNK-WHOHXGKFSA-N
Mol Weight 255.38 g/mol
Molecular Formula C13H21NO2S
Exact Mass 255.1293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0ipyKdclxx
Name (1S,2R,3R,9AS)-1,2-O-ISOPROPYLIDENE-3-METHYLSULFANYL-7,8-DIDEHYDRO-2H-QUINOLIZIDINE-1,2-DIOL
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21NO2S
InChI InChI=1S/C13H21NO2S/c1-13(2)15-11-9-6-4-5-7-14(9)8-10(17-3)12(11)16-13/h4-5,9-12H,6-8H2,1-3H3/t9-,10+,11-,12+/m0/s1
InChIKey YKQOWXREUUUZNK-WHOHXGKFSA-N
Literature Reference Author S.H.L.VERHELST,B.P.MARTINEZ,M.S.M.TIMMER,G.LODDER,G.A.V.D.MA REL,H.S.OVERKLEEFT,J
Literature Reference Citation J.ORG.CHEM.,68,9598(2003)
Literature Reference DOI 10.1021/jo0350662
Molecular Weight 255.375 g/mol
Solvent CDCl3
Source File Reference UWLU24331