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1H-1,2,4-Triazole, 5-(4-chlorophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID DuxowJZpJwR
InChI InChI=1S/C16H8ClF6N3/c17-11-6-4-9(5-7-11)13-24-14(16(21,22)23)25-26(13)12-3-1-2-10(8-12)15(18,19)20/h1-8H
InChIKey PSPYRWRPQNFYMT-UHFFFAOYSA-N
Mol Weight 391.7 g/mol
Molecular Formula C16H8ClF6N3
Exact Mass 391.031094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmIAcnCiqSa
Name 1H-1,2,4-Triazole, 5-(4-chlorophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-
Alternate Name(s) 5-(4-Chlorophenyl)-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
CAS Registry Number 112914-92-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8ClF6N3
InChI InChI=1S/C16H8ClF6N3/c17-11-6-4-9(5-7-11)13-24-14(16(21,22)23)25-26(13)12-3-1-2-10(8-12)15(18,19)20/h1-8H
InChIKey PSPYRWRPQNFYMT-UHFFFAOYSA-N
Molecular Weight 391.704 g/mol
SMILES c1(nc(-c2ccc(cc2)Cl)[n](n1)-c1cc(C(F)(F)F)ccc1)C(F)(F)F
SPLASH splash10-0a4l-0907000000-feee3aff35b1b9055a58
Source of Spectrum AH-119-353-5
Wiley ID 1365258