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5-(TRIFLUOROMETHYL)-4-PYRAZOLIN-3-ONE
SpectraBase Compound ID I5G0PQHRwkk
InChI InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-3(10)9-8-2/h1H,(H2,8,9,10)
InChIKey POUDXLOEZWUVFL-UHFFFAOYSA-N
Mol Weight 152.08 g/mol
Molecular Formula C4H3F3N2O
Exact Mass 152.019747 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7EvrMohfmV
Name 5-(TRIFLUOROMETHYL)-4-PYRAZOLIN-3-ONE
CAS Registry Number 76480-99-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4H3F3N2O
InChI InChI=1S/C4H3F3N2O/c5-4(6,7)2-1-3(10)9-8-2/h1H,(H2,8,9,10)
InChIKey POUDXLOEZWUVFL-UHFFFAOYSA-N
Literature Reference Author C.D.POULTER,P.L.WIGGINS,T.L.PLUMMER
Literature Reference Citation J.ORG.CHEM.,46,1532(1981)
Literature Reference DOI 10.1021/jo00321a003
Solvent ACETONE-D6
Source File Reference UWPS537