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(1R,2S,1'S,5'S)-(+)-2-(2'-AZABICYCLO-[3.3.0]-OCTAN-2'-YL)-1-PHENYLPROPANETHIOL
SpectraBase Compound ID Ic0cIQIzzQP
InChI InChI=1S/C16H23NS/c1-12(16(18)14-6-3-2-4-7-14)17-11-10-13-8-5-9-15(13)17/h2-4,6-7,12-13,15-16,18H,5,8-11H2,1H3/t12-,13-,15-,16-/m0/s1
InChIKey WYOWKKXMVKABCE-SDADXPQNSA-N
Mol Weight 261.43 g/mol
Molecular Formula C16H23NS
Exact Mass 261.155121 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6TLhvdqfqEV
Name (1R,2S,1'S,5'S)-(+)-2-(2'-AZABICYCLO-[3.3.0]-OCTAN-2'-YL)-1-PHENYLPROPANETHIOL
Compound Number 26B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H23NS
InChI InChI=1S/C16H23NS/c1-12(16(18)14-6-3-2-4-7-14)17-11-10-13-8-5-9-15(13)17/h2-4,6-7,12-13,15-16,18H,5,8-11H2,1H3/t12-,13-,15-,16-/m0/s1
InChIKey WYOWKKXMVKABCE-SDADXPQNSA-N
Literature Reference Author M.KOSSENJANS,M.SOEBERDT,S.WALLBAUM,K.HARMS,J.MARTENS,H.G.AUR ICH
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2353(1999)
Literature Reference DOI 10.1039/a902362c
Molecular Weight 261.425 g/mol
Solvent CDCl3
Source File Reference UWGE3892