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4-(5-Methyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl)phenol
SpectraBase Compound ID y3AjuCAVy9
InChI InChI=1S/C16H12F3N3O/c1-10-15(11-3-2-4-12(9-11)16(17,18)19)20-21-22(10)13-5-7-14(23)8-6-13/h2-9,23H,1H3
InChIKey LDZJGKRLUBFARB-UHFFFAOYSA-N
Mol Weight 319.29 g/mol
Molecular Formula C16H12F3N3O
Exact Mass 319.093247 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMrrGC4aceL
Name 4-(5-Methyl-4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazol-1-yl)phenol
Appearance Brown solid
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Exact Mass 319.093246506 u
Formula C16H12F3N3O
InChI InChI=1S/C16H12F3N3O/c1-10-15(11-3-2-4-12(9-11)16(17,18)19)20-21-22(10)13-5-7-14(23)8-6-13/h2-9,23H,1H3
InChIKey LDZJGKRLUBFARB-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200843
Molecular Weight 319.287 g/mol
Quality 233
Reported Formula C16H13F3N3O
SMILES OC1=CC=C(C=C1)N1N=NC(=C1C)C1=CC(=CC=C1)C(F)(F)F
SPLASH splash10-0006-0690000000-128889a0c077fddb4e75
Source of Spectrum K1-2022-SM11-3l (DOI: 10.1002/ejoc.202200843)
Wiley ID 1898810