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5-FLUORO-3-(PENTAFLUOROETHYL)-1-(2,3,5,6-TETRAFLUOROPHENYL)-4-TRIFLUOROMETHYL-1-H-PYRAZOLE
SpectraBase Compound ID 2MKtNOSUXs
InChI InChI=1S/C12HF13N2/c13-2-1-3(14)6(16)7(5(2)15)27-9(17)4(11(20,21)22)8(26-27)10(18,19)12(23,24)25/h1H
InChIKey BLVPKMPOQVNSNM-UHFFFAOYSA-N
Mol Weight 420.13 g/mol
Molecular Formula C12HF13N2
Exact Mass 419.993214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LdIt8tfKA0S
Name 5-FLUORO-3-(PENTAFLUOROETHYL)-1-(2,3,5,6-TETRAFLUOROPHENYL)-4-TRIFLUOROMETHYL-1-H-PYRAZOLE
Compound Number XX
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12HF13N2
InChI InChI=1S/C12HF13N2/c13-2-1-3(14)6(16)7(5(2)15)27-9(17)4(11(20,21)22)8(26-27)10(18,19)12(23,24)25/h1H
InChIKey BLVPKMPOQVNSNM-UHFFFAOYSA-N
Literature Reference Author G.G.FURIN,K.W.CHI,N.I.PROTSUK,V.A.LOPYREV
Literature Reference Citation RUSS.J.ORG.CHEM.,37,1621(2001)
Literature Reference DOI 10.1023/A:1013876707892
Molecular Weight 420.133 g/mol
Solvent CDCl3
Source File Reference UWMZ10495