John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=7EVm3JKFfnk SpectraBase Spectrum ID=8XANVGBqCX0

(accessed ).
1-PHENYL-3-(PARA-CHLOROPHENYL)-5-TRIFLUOROMETHYL-PYRAZOLE
SpectraBase Compound ID 7EVm3JKFfnk
InChI InChI=1S/C16H10ClF3N2/c17-12-8-6-11(7-9-12)14-10-15(16(18,19)20)22(21-14)13-4-2-1-3-5-13/h1-10H
InChIKey KEQQXFKXXHHANL-UHFFFAOYSA-N
Mol Weight 322.72 g/mol
Molecular Formula C16H10ClF3N2
Exact Mass 322.048461 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8XANVGBqCX0
Name 1-PHENYL-3-(PARA-CHLOROPHENYL)-5-TRIFLUOROMETHYL-PYRAZOLE
Compound Number 17F
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H10ClF3N2
InChI InChI=1S/C16H10ClF3N2/c17-12-8-6-11(7-9-12)14-10-15(16(18,19)20)22(21-14)13-4-2-1-3-5-13/h1-10H
InChIKey KEQQXFKXXHHANL-UHFFFAOYSA-N
Literature Reference Author S.P.SINGH,V.KUMAR,R.AGGARWAL,J.ELGUERO
Literature Reference Citation J.HETCYCL.CHEM.,43,1003(2006)
Literature Reference DOI 10.1002/jhet.5570430428
Solvent CDCl3
Source File Reference UWSI67649
SpectraBase Batch ID 3RL7wtLg5M2