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(4ARS,8ARS,8BRS)-(2,4A,5,6,7,8,8A,8B)-OCTAHYDRO-1-THIACYCLOPENTA-[CD]-AZULEN-4-ONE
SpectraBase Compound ID GlKH3ApITn8
InChI InChI=1S/C11H14OS/c12-9-5-7-6-13-10-4-2-1-3-8(9)11(7)10/h5,8,10-11H,1-4,6H2/t8-,10+,11+/m0/s1
InChIKey ZFTFGSYQICCGBA-JMJZKYOTSA-N
Mol Weight 194.29 g/mol
Molecular Formula C11H14OS
Exact Mass 194.076536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IJ402mGtcn
Name (4ARS,8ARS,8BRS)-(2,4A,5,6,7,8,8A,8B)-OCTAHYDRO-1-THIACYCLOPENTA-[CD]-AZULEN-4-ONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14OS
InChI InChI=1S/C11H14OS/c12-9-5-7-6-13-10-4-2-1-3-8(9)11(7)10/h5,8,10-11H,1-4,6H2/t8-,10+,11+/m0/s1
InChIKey ZFTFGSYQICCGBA-JMJZKYOTSA-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 194.292 g/mol
Sample ID 37412
Solvent CDCl3