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6ALPHA-(6-METHOXYCARBONYLHEXYL)-3ALPHA,BETA-(2-OXOHEPTYL)-2,4-DITHIA-CIS-BICYCLO[3.3.0]OCTAN-7-ONE (STEREOMER MIXTURE)
SpectraBase Compound ID fqe0oOXsrw
InChI InChI=1S/C21H34O4S2/c1-3-4-7-10-15(22)13-20-26-18-14-17(23)16(21(18)27-20)11-8-5-6-9-12-19(24)25-2/h16,18,20-21H,3-14H2,1-2H3/t16-,18-,20?,21+/m1/s1
InChIKey RDILJXIBMFLFNY-UPSDEQBWSA-N
Mol Weight 414.6 g/mol
Molecular Formula C21H34O4S2
Exact Mass 414.189852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbnHC4hWTBv
Name 6ALPHA-(6-METHOXYCARBONYLHEXYL)-3ALPHA,BETA-(2-OXOHEPTYL)-2,4-DITHIA-CIS-BICYCLO[3.3.0]OCTAN-7-ONE (STEREOMER MIXTURE)
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Formula C21H34O4S2
InChI InChI=1S/C21H34O4S2/c1-3-4-7-10-15(22)13-20-26-18-14-17(23)16(21(18)27-20)11-8-5-6-9-12-19(24)25-2/h16,18,20-21H,3-14H2,1-2H3/t16-,18-,20?,21+/m1/s1
InChIKey RDILJXIBMFLFNY-UPSDEQBWSA-N
Instrument Name Jeol FX-90
Literature Reference G.A.TOLSTIKOV, M.S.MIFTAKHOV, YA.L.VEL'DER, N.A.DANILOVA, Z.B.BADRETDINOVA,I.P.BAIKOVA (1991) Zhurn.Org.Khim.(Russ. Lang.): v.27, N3, 559-565.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d