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(E)-3-FLUORO-3-(1H-IMIDAZOL-4-YL)-ACRYLIC-ACID-DIHYDROCHLORIDE-HYDRATE

View entire compound with spectra: 2 NMR

(E)-3-FLUORO-3-(1H-IMIDAZOL-4-YL)-ACRYLIC-ACID-DIHYDROCHLORIDE-HYDRATE
SpectraBase Compound ID 2bXzK6n54R
InChI InChI=1S/C6H5FN2O2.2ClH/c7-4(1-6(10)11)5-2-8-3-9-5;;/h1-3H,(H,8,9)(H,10,11);2*1H/b4-1+;;
InChIKey IDSGYXJXWSQDPD-HFPMQDOPSA-N
Mol Weight 229.04 g/mol
Molecular Formula C6H7Cl2FN2O2
Exact Mass 227.986861 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBaWfCSFNGz
Name (E)-3-FLUORO-3-(1H-IMIDAZOL-4-YL)-ACRYLIC-ACID-DIHYDROCHLORIDE-HYDRATE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H7Cl2FN2O2
InChI InChI=1S/C6H5FN2O2.2ClH/c7-4(1-6(10)11)5-2-8-3-9-5;;/h1-3H,(H,8,9)(H,10,11);2*1H/b4-1+;;
InChIKey IDSGYXJXWSQDPD-HFPMQDOPSA-N
Literature Reference Author B.DOLENSKY,K.L.KIRK
Literature Reference Citation J.ORG.CHEM.,67,3468(2002)
Literature Reference DOI 10.1021/jo0200419
Solvent CDCl3
Source File Reference UWMS24796