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4-(1-HYDROXYCYCLOHEX-3-EN-1-YL)-2,2-DIMETHYL-1,3-OXATHIOLAN-5-ONE;ISOMER-#1
SpectraBase Compound ID GjnKhO97kWh
InChI InChI=1S/C11H16O3S/c1-10(2)14-9(12)8(15-10)11(13)6-4-3-5-7-11/h3-4,8,13H,5-7H2,1-2H3/t8-,11?/m0/s1
InChIKey UPFGCGHSGMILJY-YMNIQAILSA-N
Mol Weight 228.31 g/mol
Molecular Formula C11H16O3S
Exact Mass 228.082016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G3EY4Aawzcf
Name 4-(1-HYDROXYCYCLOHEX-3-EN-1-YL)-2,2-DIMETHYL-1,3-OXATHIOLAN-5-ONE;ISOMER-#1
CAS Registry Number 88802-55-5
Compound Number 2M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H16O3S
InChI InChI=1S/C11H16O3S/c1-10(2)14-9(12)8(15-10)11(13)6-4-3-5-7-11/h3-4,8,13H,5-7H2,1-2H3/t8-,11?/m0/s1
InChIKey UPFGCGHSGMILJY-YMNIQAILSA-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 228.306 g/mol
Solvent CDCl3
Source File Reference UWCS12014