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1-(4-Chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole

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1-(4-Chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
SpectraBase Compound ID CJAwJpC1wrK
InChI InChI=1S/C15H8ClF4N3/c16-10-3-7-12(8-4-10)23-13(9-1-5-11(17)6-2-9)21-14(22-23)15(18,19)20/h1-8H
InChIKey BCHSHKCUJKVVBN-UHFFFAOYSA-N
Mol Weight 341.7 g/mol
Molecular Formula C15H8ClF4N3
Exact Mass 341.034288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpTzoKAsEhD
Name 1-(4-Chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.034287622 u
Formula C15H8ClF4N3
InChI InChI=1S/C15H8ClF4N3/c16-10-3-7-12(8-4-10)23-13(9-1-5-11(17)6-2-9)21-14(22-23)15(18,19)20/h1-8H
InChIKey BCHSHKCUJKVVBN-UHFFFAOYSA-N
Molecular Weight 341.697 g/mol
SMILES C=1(N=C(C=2C=CC(=CC2)F)N(N1)C1=CC=C(C=C1)Cl)C(F)(F)F