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4-BENZYL-2,2,4-TRIMETHYL-1,3-OXATHIOLAN-5-ONE
SpectraBase Compound ID 2QnZHBV53qU
InChI InChI=1S/C13H16O2S/c1-12(2)15-11(14)13(3,16-12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/t13-/m1/s1
InChIKey FSOWGXZLBUVMAI-CYBMUJFWSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APVANO0HOZx
Name 4-BENZYL-2,2,4-TRIMETHYL-1,3-OXATHIOLAN-5-ONE
CAS Registry Number 88802-41-9
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-12(2)15-11(14)13(3,16-12)9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/t13-/m1/s1
InChIKey FSOWGXZLBUVMAI-CYBMUJFWSA-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 236.329 g/mol
Solvent CDCl3
Source File Reference UWCS12003