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[(2S),(1ALPHA,2ALPHA,5ALPHA,6BETA)]-6-PHENYLTHIOBICYCLO[3.3.0]OCTAN-2-OL, ETHYLSULPHATE
SpectraBase Compound ID FBnrjeiV7ak
InChI InChI=1S/C16H22O4S2/c1-2-19-22(17,18)20-15-10-8-14-13(15)9-11-16(14)21-12-6-4-3-5-7-12/h3-7,13-16H,2,8-11H2,1H3/t13-,14-,15-,16+/m1/s1
InChIKey WYUKUGUSTXASCM-FPCVCCKLSA-N
Mol Weight 342.47 g/mol
Molecular Formula C16H22O4S2
Exact Mass 342.095952 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KMNJCMa2TrR
Name [(2S),(1ALPHA,2ALPHA,5ALPHA,6BETA)]-6-PHENYLTHIOBICYCLO[3.3.0]OCTAN-2-OL, ETHYLSULPHATE
Comments ##
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Formula C16H22O4S2
InChI InChI=1S/C16H22O4S2/c1-2-19-22(17,18)20-15-10-8-14-13(15)9-11-16(14)21-12-6-4-3-5-7-12/h3-7,13-16H,2,8-11H2,1H3/t13-,14-,15-,16+/m1/s1
InChIKey WYUKUGUSTXASCM-FPCVCCKLSA-N
Instrument Name Varian CFT-20
Literature Reference N.S.ZEFIROV, N.V.ZYK, YU.A.LAPIN, A.G.KUTATELADZE, B.I.UGRAK (1992)Zhurn.Org.Khim.(Russ. Lang.): v.28, N6, 1126-1147.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d