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4-(3-OXOBUTYL)-2,2,4-TRIMETHYL-1,3-OXATHIOLAN-5-ONE
SpectraBase Compound ID BmjCE7FfTxr
InChI InChI=1S/C10H16O3S/c1-7(11)5-6-10(4)8(12)13-9(2,3)14-10/h5-6H2,1-4H3/t10-/m0/s1
InChIKey PIWGLKXOHNKRJX-JTQLQIEISA-N
Mol Weight 216.29 g/mol
Molecular Formula C10H16O3S
Exact Mass 216.082016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KUTtBS6sJs4
Name 4-(3-OXOBUTYL)-2,2,4-TRIMETHYL-1,3-OXATHIOLAN-5-ONE
CAS Registry Number 88802-54-4
Compound Number 2L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H16O3S
InChI InChI=1S/C10H16O3S/c1-7(11)5-6-10(4)8(12)13-9(2,3)14-10/h5-6H2,1-4H3/t10-/m0/s1
InChIKey PIWGLKXOHNKRJX-JTQLQIEISA-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 216.295 g/mol
Solvent CDCl3
Source File Reference UWCS12013