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(4ARS,9ARS,9BRS)-(4A,5,6,7,8,9,9A,9B)-OCTAHYDRO-2H-1-THIACYCLOPENTA-[CD]-PENTALEN-4-ONE
SpectraBase Compound ID Kc9RoMvtjoN
InChI InChI=1S/C12H16OS/c13-10-6-8-7-14-11-5-3-1-2-4-9(10)12(8)11/h6,9,11-12H,1-5,7H2/t9-,11+,12+/m0/s1
InChIKey RDEPUGQARWAQKQ-MVWJERBFSA-N
Mol Weight 208.32 g/mol
Molecular Formula C12H16OS
Exact Mass 208.092186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HjnC1b0Urqn
Name (4ARS,9ARS,9BRS)-(4A,5,6,7,8,9,9A,9B)-OCTAHYDRO-2H-1-THIACYCLOPENTA-[CD]-PENTALEN-4-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16OS
InChI InChI=1S/C12H16OS/c13-10-6-8-7-14-11-5-3-1-2-4-9(10)12(8)11/h6,9,11-12H,1-5,7H2/t9-,11+,12+/m0/s1
InChIKey RDEPUGQARWAQKQ-MVWJERBFSA-N
Literature Reference Author J.CASTRO,A.MOYANO,M.A.PERICAS,A.RIERA
Literature Reference Citation J.ORG.CHEM.,63,3346(1998)
Literature Reference DOI 10.1021/jo9722257
Molecular Weight 208.318 g/mol
Sample ID 37413
Solvent CDCl3