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4-(HYDROXYBENZYL)-2,2-DIMETHYL-1,3-OXATHIOLAN-5-ONE
SpectraBase Compound ID Jl2IbmLavrB
InChI InChI=1S/C12H14O3S/c1-12(2)15-11(14)10(16-12)9(13)8-6-4-3-5-7-8/h3-7,9-10,13H,1-2H3/t9?,10-/m1/s1
InChIKey IPVBIPPCEOBPIM-QVDQXJPCSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQX1g2AEtVp
Name 4-(HYDROXYBENZYL)-2,2-DIMETHYL-1,3-OXATHIOLAN-5-ONE
CAS Registry Number 88802-48-6
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-12(2)15-11(14)10(16-12)9(13)8-6-4-3-5-7-8/h3-7,9-10,13H,1-2H3/t9?,10-/m1/s1
InChIKey IPVBIPPCEOBPIM-QVDQXJPCSA-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 238.301 g/mol
Solvent CDCl3
Source File Reference UWCS12009