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5-Acetylthio-6,7-dihydro-2(3H)-oxepinone
SpectraBase Compound ID 6t6ryzqmYfs
InChI InChI=1S/C8H10O3S/c1-6(9)12-7-2-3-8(10)11-5-4-7/h2H,3-5H2,1H3
InChIKey ASJYXCHJQYPKDK-UHFFFAOYSA-N
Mol Weight 186.22 g/mol
Molecular Formula C8H10O3S
Exact Mass 186.035065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1qTlRikz8SI
Name 5-ACETYLTHIO-6,7-DIHYDRO-2(3H)-OXEPINONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H10O3S
InChI InChI=1S/C8H10O3S/c1-6(9)12-7-2-3-8(10)11-5-4-7/h2H,3-5H2,1H3
InChIKey ASJYXCHJQYPKDK-UHFFFAOYSA-N
Literature Reference Author F.BUSQUE,P.CID,P.DEMARCH,M.FIGUEREDO,J.FONT
Literature Reference Citation HETEROCYCLES,40,387(1995)
Literature Reference DOI 10.3987/COM-94-S49
Molecular Weight 186.226 g/mol
Solvent CDCl3
Source File Reference UWCP2879