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DIMETHYL-TETRAHYDRO-4-OXO-2H-THIOPYRAN-3,5-DICARBOXYLATE
SpectraBase Compound ID Izo1jfzRvkD
InChI InChI=1S/C9H12O5S/c1-13-8(11)5-3-15-4-6(7(5)10)9(12)14-2/h5-6H,3-4H2,1-2H3
InChIKey IOCMBXGCFPRMAC-UHFFFAOYSA-N
Mol Weight 232.25 g/mol
Molecular Formula C9H12O5S
Exact Mass 232.040545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A286hIsY3HU
Name DIMETHYL-TETRAHYDRO-4-OXO-2H-THIOPYRAN-3,5-DICARBOXYLATE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12O5S
InChI InChI=1S/C9H12O5S/c1-13-8(11)5-3-15-4-6(7(5)10)9(12)14-2/h5-6H,3-4H2,1-2H3
InChIKey IOCMBXGCFPRMAC-UHFFFAOYSA-N
Literature Reference Author D.E.WARD,V.JHEENGUT,O.T.AKINNUSI
Literature Reference Citation ORG.LETTERS,7,1181(2005)
Literature Reference DOI 10.1021/ol050195l
Molecular Weight 232.251 g/mol
Sample ID 62218
Solvent CDCl3