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4-cyano-4-(thiobenzoylthio)valeric acid

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4-cyano-4-(thiobenzoylthio)valeric acid
SpectraBase Compound ID 8B584MbquT9
InChI InChI=1S/C13H13NO2S2/c1-13(9-14,8-7-11(15)16)18-12(17)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16)
InChIKey YNKQCPNHMVAWHN-UHFFFAOYSA-N
Mol Weight 279.37 g/mol
Molecular Formula C13H13NO2S2
Exact Mass 279.038771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Q0eZGu7YOa
Name 4-cyano-4-(thiobenzoylthio)valeric acid
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13NO2S2
InChI InChI=1S/C13H13NO2S2/c1-13(9-14,8-7-11(15)16)18-12(17)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,15,16)
InChIKey YNKQCPNHMVAWHN-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 279.372 g/mol
Source File Reference MHKO27264