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2,8-DITHIA-[9.1]-METACYCLOPHAN-16-ONE
SpectraBase Compound ID 1SH8Pzoaa9K
InChI InChI=1S/C20H22OS2/c21-20-18-8-4-6-16(12-18)14-22-10-2-1-3-11-23-15-17-7-5-9-19(20)13-17/h4-9,12-13H,1-3,10-11,14-15H2
InChIKey YNXDRQJEMPYWLX-UHFFFAOYSA-N
Mol Weight 342.52 g/mol
Molecular Formula C20H22OS2
Exact Mass 342.111208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ky5utb7ZEad
Name 2,8-DITHIA-[9.1]-METACYCLOPHAN-16-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H22OS2
InChI InChI=1S/C20H22OS2/c21-20-18-8-4-6-16(12-18)14-22-10-2-1-3-11-23-15-17-7-5-9-19(20)13-17/h4-9,12-13H,1-3,10-11,14-15H2
InChIKey YNXDRQJEMPYWLX-UHFFFAOYSA-N
Literature Reference Author D.A.SHULTZ,M.A.FOX
Literature Reference Citation J.AM.CHEM.SOC.,111,6311(1989)
Literature Reference DOI 10.1021/ja00198a049
Molecular Weight 342.514 g/mol
Solvent CDCl3
Source File Reference UWCS2535