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5-ACETYL-2-HYDROXY-4-METHYL-THIOPHEN-3-CARBONITRIL
SpectraBase Compound ID 7nhijzzjPyP
InChI InChI=1S/C8H7NO2S/c1-4-6(3-9)8(11)12-7(4)5(2)10/h11H,1-2H3
InChIKey ZGOZJDITBOCFPV-UHFFFAOYSA-N
Mol Weight 181.21 g/mol
Molecular Formula C8H7NO2S
Exact Mass 181.01975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LxGXHeWOWQR
Name 5-ACETYL-2-HYDROXY-4-METHYL-THIOPHEN-3-CARBONITRIL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H7NO2S
InChI InChI=1S/C8H7NO2S/c1-4-6(3-9)8(11)12-7(4)5(2)10/h11H,1-2H3
InChIKey ZGOZJDITBOCFPV-UHFFFAOYSA-N
Literature Reference Author K.GEWALD,M.GRUNER,U.HAIN,G.SUEPTITZ
Literature Reference Citation MH.CHEM.,119,985(1988)
Literature Reference DOI 10.1007/BF00810107
Molecular Weight 181.209 g/mol
Solvent DMSO-D6
Source File Reference UWRU9202