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2-CYANO-3-(2-HYDROXY-3-METHOXYPHENYL)-PROP-2-ENE-1-CARBOTHIAMIDE
SpectraBase Compound ID HrlPHszYwYm
InChI InChI=1S/C11H10N2O2S/c1-15-9-4-2-3-7(10(9)14)5-8(6-12)11(13)16/h2-5,14H,1H3,(H2,13,16)/b8-5+
InChIKey NXAATMCKRCNAFI-VMPITWQZSA-N
Mol Weight 234.27 g/mol
Molecular Formula C11H10N2O2S
Exact Mass 234.046299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZkHb0PtDOI
Name 2-CYANO-3-(2-HYDROXY-3-METHOXYPHENYL)-PROP-2-ENE-1-CARBOTHIAMIDE
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H10N2O2S
InChI InChI=1S/C11H10N2O2S/c1-15-9-4-2-3-7(10(9)14)5-8(6-12)11(13)16/h2-5,14H,1H3,(H2,13,16)/b8-5+
InChIKey NXAATMCKRCNAFI-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 234.273 g/mol
Solvent DMSO-D6
Source File Reference UWRU12042