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(1RS,2RS,3RS,6RS)-3,6-DI-(PHENYLTHIO)-CYClOHEX-4-ENE-1,2-DIOL
SpectraBase Compound ID FB33cSTvp5t
InChI InChI=1S/C18H18O2S2/c19-17-15(21-13-7-3-1-4-8-13)11-12-16(18(17)20)22-14-9-5-2-6-10-14/h1-12,15-20H/t15-,16-,17+,18+/m0/s1
InChIKey XBKIKYPMXZRNEB-WNRNVDISSA-N
Mol Weight 330.46 g/mol
Molecular Formula C18H18O2S2
Exact Mass 330.074822 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7KLDaVTglp
Name (1RS,2RS,3RS,6RS)-3,6-DI-(PHENYLTHIO)-CYClOHEX-4-ENE-1,2-DIOL
Compound Number 9
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Formula C18H18O2S2
InChI InChI=1S/C18H18O2S2/c19-17-15(21-13-7-3-1-4-8-13)11-12-16(18(17)20)22-14-9-5-2-6-10-14/h1-12,15-20H/t15-,16-,17+,18+/m0/s1
InChIKey XBKIKYPMXZRNEB-WNRNVDISSA-N
Literature Reference Author T.ESSER,F.FARKAS,S.MANGHOLZ,U.SEQUIN
Literature Reference Citation TETRAHEDRON,50,3709(1994)
Literature Reference DOI 10.1016/S0040-4020(01)90392-8
Molecular Weight 330.460 g/mol
Solvent CDCl3
Source File Reference UWCP3831