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4,4-DICHLORO-5-(TRIFLUOROMETHYL)-5-PYRAZOLIN-3-ONE
SpectraBase Compound ID 3cS4GH4Am8q
InChI InChI=1S/C4HCl2F3N2O/c5-3(6)1(4(7,8)9)10-11-2(3)12/h(H,11,12)
InChIKey BPPNRGPLYZIDHX-UHFFFAOYSA-N
Mol Weight 220.97 g/mol
Molecular Formula C4HCl2F3N2O
Exact Mass 219.941803 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ka0JB8xxBSC
Name 4,4-DICHLORO-5-(TRIFLUOROMETHYL)-5-PYRAZOLIN-3-ONE
CAS Registry Number 76481-00-0
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C4HCl2F3N2O
InChI InChI=1S/C4HCl2F3N2O/c5-3(6)1(4(7,8)9)10-11-2(3)12/h(H,11,12)
InChIKey BPPNRGPLYZIDHX-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 CDCl3
Source File Reference UWPS538