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MINOR_PRODUCT
SpectraBase Compound ID 1bkItyN08da
InChI InChI=1S/C22H22N2O4S2/c1-22(2)18(24-19(29-22)16(23-30-24)20(25)27-3)21(26)28-17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,17-19H,1-3H3/t18-,19-/m0/s1
InChIKey RPVUWGDEAMWVAN-OALUTQOASA-N
Mol Weight 442.55 g/mol
Molecular Formula C22H22N2O4S2
Exact Mass 442.1021 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C1himfWO3Mo
Name MINOR_PRODUCT
Compound Number (3-S,5-R)-9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22N2O4S2
InChI InChI=1S/C22H22N2O4S2/c1-22(2)18(24-19(29-22)16(23-30-24)20(25)27-3)21(26)28-17(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,17-19H,1-3H3/t18-,19-/m0/s1
InChIKey RPVUWGDEAMWVAN-OALUTQOASA-N
Literature Reference Author T.P.SMYTH,M.E.ODONNELL,M.J.OCONNOR,J.O.S.LEDGER
Literature Reference Citation J.ORG.CHEM.,63,7600(1998)
Literature Reference DOI 10.1021/jo970737f
Molecular Weight 442.548 g/mol
Sample ID 26076
Solvent CDCl3