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(E)-3-amino-3-(butylthio)-2-cyano-prop-2-enethioic acid S-butyl ester
SpectraBase Compound ID 1yd3kpnwK0E
InChI InChI=1S/C12H20N2OS2/c1-3-5-7-16-11(14)10(9-13)12(15)17-8-6-4-2/h3-8,14H2,1-2H3/b11-10+
InChIKey ICCLIHJYPIRFKS-ZHACJKMWSA-N
Mol Weight 272.43 g/mol
Molecular Formula C12H20N2OS2
Exact Mass 272.101706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8zOGMNEV94E
Name (E)-3-amino-3-(butylthio)-2-cyano-prop-2-enethioic acid S-butyl ester
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H20N2OS2
InChI InChI=1S/C12H20N2OS2/c1-3-5-7-16-11(14)10(9-13)12(15)17-8-6-4-2/h3-8,14H2,1-2H3/b11-10+
InChIKey ICCLIHJYPIRFKS-ZHACJKMWSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 272.424 g/mol
Source File Reference MHKO6865