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2-[amino-[5-amino-1-(4-fluorophenyl)imidazol-4-yl]methylene]malononitrile
SpectraBase Compound ID uExl0B33Hi
InChI InChI=1S/C13H9FN6/c14-9-1-3-10(4-2-9)20-7-19-12(13(20)18)11(17)8(5-15)6-16/h1-4,7H,17-18H2
InChIKey VDOPBMFIVWSAGY-UHFFFAOYSA-N
Mol Weight 268.26 g/mol
Molecular Formula C13H9FN6
Exact Mass 268.087272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jgf9kS9Tg2r
Name 2-[amino-[5-amino-1-(4-fluorophenyl)imidazol-4-yl]methylene]malononitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9FN6
InChI InChI=1S/C13H9FN6/c14-9-1-3-10(4-2-9)20-7-19-12(13(20)18)11(17)8(5-15)6-16/h1-4,7H,17-18H2
InChIKey VDOPBMFIVWSAGY-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2008)
Molecular Weight 268.253 g/mol
Source File Reference MHKO17422