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2-THIOMETHYL-2-BUTENENITRILE;MAJOR-ISOMER
SpectraBase Compound ID 2odRNSY70RG
InChI InChI=1S/C5H7NS/c1-3-5(4-6)7-2/h3H,1-2H3/b5-3-
InChIKey CQNPVNJFUDXALW-HYXAFXHYSA-N
Mol Weight 113.18 g/mol
Molecular Formula C5H7NS
Exact Mass 113.02992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78sDX0VkpRh
Name 2-THIOMETHYL-2-BUTENENITRILE;MINOR-ISOMER
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C5H7NS
InChI InChI=1S/C5H7NS/c1-3-5(4-6)7-2/h3H,1-2H3/b5-3-
InChIKey CQNPVNJFUDXALW-HYXAFXHYSA-N
Literature Reference Author P.J.E.VERDEGEM,M.C.F.MONNEE,J.LUGTENBURG
Literature Reference Citation J.ORG.CHEM.,66,1269(2001)
Literature Reference DOI 10.1021/jo0009595
Molecular Weight 113.177 g/mol
Solvent CDCl3
Source File Reference UWLU26149