John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=ABAGGasXR6Y SpectraBase Spectrum ID=2WAcehsMaJ4

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1-METHYL-5-(PENTAFLUOROETHYL)-1H-PYRAZOL-3-OL
SpectraBase Compound ID ABAGGasXR6Y
InChI InChI=1S/C6H5F5N2O/c1-13-3(2-4(14)12-13)5(7,8)6(9,10)11/h2H,1H3,(H,12,14)
InChIKey MRWAMNHMISDRLK-UHFFFAOYSA-N
Mol Weight 216.11 g/mol
Molecular Formula C6H5F5N2O
Exact Mass 216.032204 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2WAcehsMaJ4
Name 1-METHYL-5-(PENTAFLUOROETHYL)-1H-PYRAZOL-3-OL
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5F5N2O
InChI InChI=1S/C6H5F5N2O/c1-13-3(2-4(14)12-13)5(7,8)6(9,10)11/h2H,1H3,(H,12,14)
InChIKey MRWAMNHMISDRLK-UHFFFAOYSA-N
Literature Reference Author B.C.HAMPER,M.L.KURTZWEIL,J.P.BECK
Literature Reference Citation J.ORG.CHEM.,57,5680(1992)
Literature Reference DOI 10.1021/jo00047a021
Molecular Weight 216.111 g/mol
Solvent ACETONE-D6
Source File Reference UWCS3708
SpectraBase Batch ID 6T7W5Sbka9i