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4-(HYDROXYBENZYL)-2,2,4-TRIMETHYL-1,3-OXATHIOLAN-5-ONE
SpectraBase Compound ID 4kmAXSX4Oao
InChI InChI=1S/C13H16O3S/c1-12(2)16-11(15)13(3,17-12)10(14)9-7-5-4-6-8-9/h4-8,10,14H,1-3H3/t10?,13-/m1/s1
InChIKey ZINAIPRQUHWCNP-JLOHTSLTSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3OcUiLcDt3g
Name 4-(HYDROXYBENZYL)-2,2,4-TRIMETHYL-1,3-OXATHIOLAN-5-ONE
CAS Registry Number 88802-49-7
Compound Number 2I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-12(2)16-11(15)13(3,17-12)10(14)9-7-5-4-6-8-9/h4-8,10,14H,1-3H3/t10?,13-/m1/s1
InChIKey ZINAIPRQUHWCNP-JLOHTSLTSA-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 252.328 g/mol
Solvent CDCl3
Source File Reference UWCS12010