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ALLYL-3,4-DIHYDRO-4-OXO-2H-THIINE-3-CARBOXYLATE;ENOL-FORM
SpectraBase Compound ID IbsCoyR2LRR
InChI InChI=1S/C9H10O3S/c1-2-4-12-9(11)7-6-13-5-3-8(7)10/h2-3,5,10H,1,4,6H2
InChIKey IINTYUGHQUNIRE-UHFFFAOYSA-N
Mol Weight 198.24 g/mol
Molecular Formula C9H10O3S
Exact Mass 198.035065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GOlzAaD13wX
Name ALLYL-3,4-DIHYDRO-4-OXO-2H-THIINE-3-CARBOXYLATE;ENOL-FORM
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10O3S
InChI InChI=1S/C9H10O3S/c1-2-4-12-9(11)7-6-13-5-3-8(7)10/h2-3,5,10H,1,4,6H2
InChIKey IINTYUGHQUNIRE-UHFFFAOYSA-N
Literature Reference Author S.M.JEFFERY,A.G.SUTHERLAND,S.M.PYKE,A.K.POWELL,R.J.K.TAYLOR
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2317(1993)
Literature Reference DOI 10.1039/p19930002317
Molecular Weight 198.237 g/mol
Solvent CDCl3
Source File Reference UWRU3409