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1H-1,2,4-Triazole, 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-1,2,4-Triazole, 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)-
SpectraBase Compound ID 4DlWUsFlFSW
InChI InChI=1S/C15H8Cl2F3N3/c16-10-3-1-9(2-4-10)13-21-14(15(18,19)20)22-23(13)12-7-5-11(17)6-8-12/h1-8H
InChIKey FXELBLFQCXSEDZ-UHFFFAOYSA-N
Mol Weight 358.15 g/mol
Molecular Formula C15H8Cl2F3N3
Exact Mass 357.004737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8MRMOOSvuCw
Name 1H-1,2,4-Triazole, 1,5-bis(4-chlorophenyl)-3-(trifluoromethyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.004737159 u
Formula C15H8Cl2F3N3
InChI InChI=1S/C15H8Cl2F3N3/c16-10-3-1-9(2-4-10)13-21-14(15(18,19)20)22-23(13)12-7-5-11(17)6-8-12/h1-8H
InChIKey FXELBLFQCXSEDZ-UHFFFAOYSA-N
Molecular Weight 358.151 g/mol
SMILES C=1(N=C(C2=CC=C(C=C2)Cl)N(N1)C=1C=CC(=CC1)Cl)C(F)(F)F