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2,3-DIMETHOXY-6A,12A-DIHYDRO-5-THIO-6H-ROTOXEN-12-ONE
SpectraBase Compound ID EUvO9j8Fddd
InChI InChI=1S/C18H16O4S/c1-20-13-7-11-16(8-14(13)21-2)23-9-15-17(11)18(19)10-5-3-4-6-12(10)22-15/h3-8,15,17H,9H2,1-2H3/t15-,17+/m0/s1
InChIKey KAHQIOSVQJINPO-DOTOQJQBSA-N
Mol Weight 328.38 g/mol
Molecular Formula C18H16O4S
Exact Mass 328.07693 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E7KSyhFUO0h
Name 2,3-DIMETHOXY-6A,12A-DIHYDRO-5-THIO-6H-ROTOXEN-12-ONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16O4S
InChI InChI=1S/C18H16O4S/c1-20-13-7-11-16(8-14(13)21-2)23-9-15-17(11)18(19)10-5-3-4-6-12(10)22-15/h3-8,15,17H,9H2,1-2H3/t15-,17+/m0/s1
InChIKey KAHQIOSVQJINPO-DOTOQJQBSA-N
Literature Reference Author L.CROMBIE,J.L.JOSEPHS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2599(1993)
Literature Reference DOI 10.1039/p19930002599
Molecular Weight 328.383 g/mol
Solvent CDCl3
Source File Reference UWRU3485