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2-Oxo-2H-thieno(2,3-H)(1)-benzopyran-3-thiocarboxamide
SpectraBase Compound ID KM7TFKF7eKr
InChI InChI=1S/C12H7NO2S2/c13-11(16)8-5-6-1-2-9-7(3-4-17-9)10(6)15-12(8)14/h1-5H,(H2,13,16)
InChIKey YRQYBCASGURHBV-UHFFFAOYSA-N
Mol Weight 261.31 g/mol
Molecular Formula C12H7NO2S2
Exact Mass 260.991821 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JakzR9OZFcs
Name 2-OXO-2H-THIENO-[2,3-H]-[1]-BENZOPYRAN-3-THIOCARBOXAMIDE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H7NO2S2
InChI InChI=1S/C12H7NO2S2/c13-11(16)8-5-6-1-2-9-7(3-4-17-9)10(6)15-12(8)14/h1-5H,(H2,13,16)
InChIKey YRQYBCASGURHBV-UHFFFAOYSA-N
Literature Reference Author N.M.D.BROWN,A.DE,J.S.A.BRUNSKILL,H.JEFFREY
Literature Reference Citation ORG.MAGN.RES.,18,211(1982)
Literature Reference DOI 10.1002/mrc.1270180408
Molecular Weight 261.313 g/mol
Solvent DMSO-D6
Source File Reference UWCS10954