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8-FLUOROCAFFEINE
SpectraBase Compound ID LvylYHLeeGS
InChI InChI=1S/C8H9FN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3
InChIKey CDBGCIJBOBMKCH-UHFFFAOYSA-N
Mol Weight 212.18 g/mol
Molecular Formula C8H9FN4O2
Exact Mass 212.070954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzUdQhzETZg
Name 8-FLUOROCAFFEINE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H9FN4O2
InChI InChI=1S/C8H9FN4O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3
InChIKey CDBGCIJBOBMKCH-UHFFFAOYSA-N
Literature Reference Author M.SONO,N.TOYODA,K.SHIMIZU,E.NODA,Y.SHIZURI,M.TORI
Literature Reference Citation CHEM.PHARM.BULL.,44,1141(1996)
Literature Reference DOI 10.1248/cpb.44.1141
Molecular Weight 212.183 g/mol
Solvent CDCl3
Source File Reference UWLU31335