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2-[(TETRAHYDRO-4-OXO-2-H-THIOPYRAN-2-YL)-THIO]-ETHYL_METHYL_(E)-BUTENDIOATE
SpectraBase Compound ID 3Rgxg6U5cjl
InChI InChI=1S/C12H16O5S2/c1-16-10(14)2-3-11(15)17-5-7-19-12-8-9(13)4-6-18-12/h2-3,12H,4-8H2,1H3/b3-2+
InChIKey UHZYEKSJIYONKW-NSCUHMNNSA-N
Mol Weight 304.38 g/mol
Molecular Formula C12H16O5S2
Exact Mass 304.043916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5w3dTDW0Li
Name 2-[(TETRAHYDRO-4-OXO-2-H-THIOPYRAN-2-YL)-THIO]-ETHYL_METHYL_(E)-BUTENDIOATE
Compound Number 59
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O5S2
InChI InChI=1S/C12H16O5S2/c1-16-10(14)2-3-11(15)17-5-7-19-12-8-9(13)4-6-18-12/h2-3,12H,4-8H2,1H3/b3-2+
InChIKey UHZYEKSJIYONKW-NSCUHMNNSA-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 304.376 g/mol
Solvent CDCl3
Source File Reference UWMZ1565