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3-Methylthio-furan
SpectraBase Compound ID 2Y9hDDnuNGk
InChI InChI=1S/C5H6OS/c1-7-5-2-3-6-4-5/h2-4H,1H3
InChIKey FJDRTXLPXBTNES-UHFFFAOYSA-N
Mol Weight 114.16 g/mol
Molecular Formula C5H6OS
Exact Mass 114.013936 g/mol
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Sample S. Gronowitz, I. Johnson, A. B. Hoernfeldt Chem. Scripta 7, 211(1975)
Solvent Acetone-d6; Reference=TMS; Temperature=Ambient Spectrometer= Varian XL-100
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Solvent Acetone-D6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
  • FJDRTXLPXBTNES-UHFFFAOYSA-N
Title Journal or Book Year
An analysis of substituent effects on 1H and 13C NMR parameters of substituted furans. Linear free energy relationships and PM3 semiempirical calculations Journal of the Chemical Society, Perkin Transactions 2 1998
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