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2-keto-3-phenyl-thietane-3-carboxylic acid methyl ester
SpectraBase Compound ID Lbdem1CBaNC
InChI InChI=1S/C11H10O3S/c1-14-9(12)11(7-15-10(11)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey FPPRNHDZKQFXAD-UHFFFAOYSA-N
Mol Weight 222.26 g/mol
Molecular Formula C11H10O3S
Exact Mass 222.035065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hjga93lADo
Name 2-keto-3-phenyl-thietane-3-carboxylic acid methyl ester
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10O3S
InChI InChI=1S/C11H10O3S/c1-14-9(12)11(7-15-10(11)13)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey FPPRNHDZKQFXAD-UHFFFAOYSA-N
Literature Reference Author H.B.LEE,H.Y.PARK,B.S.LEE,Y.G.KIM
Literature Reference Citation MAGN.RES.CHEM.,38,468(2000)
Literature Reference DOI 10.1002/1097-458x(200006)38:6<468::aid-mrc675>3.0.co;2-f
Molecular Weight 222.259 g/mol
Solvent CDCl3
Source File Reference UWBS1364