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3-DEUTERO-6-(4-METHOXYPHENYL)-2H-THIOPYRAN-2-THIONE
SpectraBase Compound ID 1M1NPZkhIt0
InChI InChI=1S/C12H10OS2/c1-13-10-7-5-9(6-8-10)11-3-2-4-12(14)15-11/h2-8H,1H3/i4D
InChIKey HDNPTUUCJNUQNY-QYKNYGDISA-N
Mol Weight 235.34 g/mol
Molecular Formula C12H92HOS2
Exact Mass 235.023584 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GfkqWIEbFfG
Name 3-DEUTERO-6-(4-METHOXYPHENYL)-2H-THIOPYRAN-2-THIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H92HOS2
InChI InChI=1S/C12H10OS2/c1-13-10-7-5-9(6-8-10)11-3-2-4-12(14)15-11/h2-8H,1H3/i4D
InChIKey HDNPTUUCJNUQNY-QYKNYGDISA-N
Literature Reference Author C.RABILLER,G.J.MARTIN,J.P.PRADERE,J.C.MESLIN,H.QUINIOU
Literature Reference Citation ORG.MAGN.RES.,14,479(1980)
Literature Reference DOI 10.1002/mrc.1270140611
Molecular Weight 235.337 g/mol
Solvent CDCl3
Source File Reference UWCS5076