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[3-CYANO-7-(2-FLUOROETHYLAMINO)-PYRAZOLO-[1,5-A]-PYRIMIDIN-5-YL]-METHYLACETATE
SpectraBase Compound ID 75zd6mSiAMK
InChI InChI=1S/C12H12FN5O2/c1-8(19)20-7-10-4-11(15-3-2-13)18-12(17-10)9(5-14)6-16-18/h4,6,15H,2-3,7H2,1H3
InChIKey ZUHKACUCEOASKQ-UHFFFAOYSA-N
Mol Weight 277.26 g/mol
Molecular Formula C12H12FN5O2
Exact Mass 277.097503 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4aPWpvAEfhw
Name [3-CYANO-7-(2-FLUOROETHYLAMINO)-PYRAZOLO-[1,5-A]-PYRIMIDIN-5-YL]-METHYLACETATE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12FN5O2
InChI InChI=1S/C12H12FN5O2/c1-8(19)20-7-10-4-11(15-3-2-13)18-12(17-10)9(5-14)6-16-18/h4,6,15H,2-3,7H2,1H3
InChIKey ZUHKACUCEOASKQ-UHFFFAOYSA-N
Literature Reference Author J.XU,H.LIU,Y.HE,R.DING,X.WANG,M.FENG,S.ZHANG,Y.CHEN,S.LI,M.Z HAO,Y.LI,C.QI,Y.DANG
Literature Reference Citation MOLECULES,17,3774(2012)
Literature Reference DOI 10.3390/molecules17043774
Solvent CDCl3
Source File Reference UWBT1850