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2-CYANO-3-(2-HYDROXYPHENYL)-PROP-2-ENE-1-CARBOTHIAMIDE
SpectraBase Compound ID L8gxUh4sD4e
InChI InChI=1S/C10H8N2OS/c11-6-8(10(12)14)5-7-3-1-2-4-9(7)13/h1-5,13H,(H2,12,14)/b8-5+
InChIKey ZOMKACNDEPORIM-VMPITWQZSA-N
Mol Weight 204.25 g/mol
Molecular Formula C10H8N2OS
Exact Mass 204.035734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9PTPCZeNfiP
Name 2-CYANO-3-(2-HYDROXYPHENYL)-PROP-2-ENE-1-CARBOTHIAMIDE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H8N2OS
InChI InChI=1S/C10H8N2OS/c11-6-8(10(12)14)5-7-3-1-2-4-9(7)13/h1-5,13H,(H2,12,14)/b8-5+
InChIKey ZOMKACNDEPORIM-VMPITWQZSA-N
Literature Reference Author C.N.O'CALLAGHAN,T.B.H.MCMURRY,J.E.O'BRIEN
Literature Reference Citation J.CHEM.SOC.PERKIN-2,425(1998)
Literature Reference DOI 10.1039/js8732600425
Molecular Weight 204.246 g/mol
Solvent DMSO-D6
Source File Reference UWRU12039