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2-(2-HYDROXYETHYLTHIO)-TETRAHYDRO-4-H-THIOPYRAN-4-ONE
SpectraBase Compound ID LLUOtwEemRq
InChI InChI=1S/C7H12O2S2/c8-2-4-11-7-5-6(9)1-3-10-7/h7-8H,1-5H2
InChIKey XACGITUBLQGVEC-UHFFFAOYSA-N
Mol Weight 192.29 g/mol
Molecular Formula C7H12O2S2
Exact Mass 192.027872 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DmCB2eHnhdk
Name 2-(2-HYDROXYETHYLTHIO)-TETRAHYDRO-4-H-THIOPYRAN-4-ONE
Compound Number 57
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H12O2S2
InChI InChI=1S/C7H12O2S2/c8-2-4-11-7-5-6(9)1-3-10-7/h7-8H,1-5H2
InChIKey XACGITUBLQGVEC-UHFFFAOYSA-N
Literature Reference Author D.E.WARD,T.E.NIXEY,Y.GAI,M.J.HRAPCHAK,M.S.ABAEE
Literature Reference Citation CAN.J.CHEM.,74,1418(1996)
Literature Reference DOI 10.1139/v96-160
Molecular Weight 192.291 g/mol
Solvent CDCl3
Source File Reference UWMZ1564