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6A,12A-DIHYDRO-5-THIOROTOXEN-12-(6H)-ONE

View entire compound with spectra: 1 NMR

6A,12A-DIHYDRO-5-THIOROTOXEN-12-(6H)-ONE
SpectraBase Compound ID Jv9FoJYXzIv
InChI InChI=1S/C16H12O2S/c17-16-10-5-1-3-7-12(10)18-13-9-19-14-8-4-2-6-11(14)15(13)16/h1-8,13,15H,9H2/t13-,15+/m0/s1
InChIKey ZYONBXQBNSQFOW-DZGCQCFKSA-N
Mol Weight 268.33 g/mol
Molecular Formula C16H12O2S
Exact Mass 268.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ADrj96hMyg
Name 6A,12A-DIHYDRO-5-THIOROTOXEN-12-(6H)-ONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12O2S
InChI InChI=1S/C16H12O2S/c17-16-10-5-1-3-7-12(10)18-13-9-19-14-8-4-2-6-11(14)15(13)16/h1-8,13,15H,9H2/t13-,15+/m0/s1
InChIKey ZYONBXQBNSQFOW-DZGCQCFKSA-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 268.330 g/mol
Solvent CDCl3
Source File Reference UWRU3483