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2-CYANO-3-(2-HYDROXY-5-NITROPHENYL)-PROP-2-ENE-1-CARBOXAMIDE
SpectraBase Compound ID DQ6n5Q9hGYA
InChI InChI=1S/C10H7N3O4/c11-5-7(10(12)15)3-6-4-8(13(16)17)1-2-9(6)14/h1-4,14H,(H2,12,15)/b7-3+
InChIKey CWERWBNZWCRMTP-XVNBXDOJSA-N
Mol Weight 233.18 g/mol
Molecular Formula C10H7N3O4
Exact Mass 233.043656 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KsFWnbecq4S
Name 2-CYANO-3-(2-HYDROXY-5-NITROPHENYL)-PROP-2-ENE-1-CARBOXAMIDE
Compound Number 3I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7N3O4
InChI InChI=1S/C10H7N3O4/c11-5-7(10(12)15)3-6-4-8(13(16)17)1-2-9(6)14/h1-4,14H,(H2,12,15)/b7-3+
InChIKey CWERWBNZWCRMTP-XVNBXDOJSA-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 233.183 g/mol
Solvent DMSO-D6
Source File Reference UWRU12034