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4-(3-OXOCYCLOHEXYL)-2,2,4-TRIMETHYL-1,3-OXATHIOLAN-5-ONE
SpectraBase Compound ID FGR3ftClJXZ
InChI InChI=1S/C12H18O3S/c1-11(2)15-10(14)12(3,16-11)8-5-4-6-9(13)7-8/h8H,4-7H2,1-3H3/t8?,12-/m0/s1
InChIKey NOCUGGBLZVCIQR-MYIOLCAUSA-N
Mol Weight 242.33 g/mol
Molecular Formula C12H18O3S
Exact Mass 242.097666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1aCJ9XIppc3
Name 4-(3-OXOCYCLOHEXYL)-2,2,4-TRIMETHYL-1,3-OXATHIOLAN-5-ONE
CAS Registry Number 88802-57-7
Compound Number 2N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H18O3S
InChI InChI=1S/C12H18O3S/c1-11(2)15-10(14)12(3,16-11)8-5-4-6-9(13)7-8/h8H,4-7H2,1-3H3/t8?,12-/m0/s1
InChIKey NOCUGGBLZVCIQR-MYIOLCAUSA-N
Literature Reference Author J.M.MCINTOSH,P.MISHRA,M.A.SIDDIQUI
Literature Reference Citation J.ORG.CHEM.,49,1036(1984)
Literature Reference DOI 10.1021/jo00180a016
Molecular Weight 242.333 g/mol
Solvent CDCl3
Source File Reference UWCS12016