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ALPHA-TRANS-1-THIADECALIN-1-OXIDE
SpectraBase Compound ID 1XPn89zfi2e
InChI InChI=1S/C9H16OS/c10-11-7-3-5-8-4-1-2-6-9(8)11/h8-9H,1-7H2/t8-,9+,11?/m1/s1
InChIKey ABGUWGOWZAHPPI-VFXVZZSQSA-N
Mol Weight 172.29 g/mol
Molecular Formula C9H16OS
Exact Mass 172.092186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7iiudzmO1dE
Name ALPHA-TRANS-1-THIADECALIN-1-OXIDE
CAS Registry Number 67530-09-0
Compound Number 5-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H16OS
InChI InChI=1S/C9H16OS/c10-11-7-3-5-8-4-1-2-6-9(8)11/h8-9H,1-7H2/t8-,9+,11?/m1/s1
InChIKey ABGUWGOWZAHPPI-VFXVZZSQSA-N
Literature Reference Author R.P.ROONEY,S.A.EVANS
Literature Reference Citation J.ORG.CHEM.,45,180(1980)
Literature Reference DOI 10.1021/jo01289a043
Molecular Weight 172.285 g/mol
Solvent CDCl3
Source File Reference UNIW21712