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2-[(5-CHLORO-3,4-DIHYDRO-4-OXO-2-H-THIOPYRAN-6-YL)-THIO]-ETHYL_METHYL_(E)-BUTENDIOATE
SpectraBase Compound ID Hpw6yRq6TRx
InChI InChI=1S/C12H13ClO5S2/c1-17-9(15)2-3-10(16)18-5-7-20-12-11(13)8(14)4-6-19-12/h2-3H,4-7H2,1H3/b3-2+
InChIKey PXDJSICOPWJICH-NSCUHMNNSA-N
Mol Weight 336.8 g/mol
Molecular Formula C12H13ClO5S2
Exact Mass 335.989294 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GjJDBJaOpEY
Name 2-[(5-CHLORO-3,4-DIHYDRO-4-OXO-2-H-THIOPYRAN-6-YL)-THIO]-ETHYL_METHYL_(E)-BUTENDIOATE
Compound Number 61B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13ClO5S2
InChI InChI=1S/C12H13ClO5S2/c1-17-9(15)2-3-10(16)18-5-7-20-12-11(13)8(14)4-6-19-12/h2-3H,4-7H2,1H3/b3-2+
InChIKey PXDJSICOPWJICH-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 336.805 g/mol
Solvent CDCl3
Source File Reference UWMZ1568