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1-(4-Methoxyphenyl)-5-methyl-4-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole
SpectraBase Compound ID BhSQC8CqS6V
InChI InChI=1S/C17H14F3N3O/c1-11-16(12-4-3-5-13(10-12)17(18,19)20)21-22-23(11)14-6-8-15(24-2)9-7-14/h3-10H,1-2H3
InChIKey CMGWJKXQCAKDJB-UHFFFAOYSA-N
Mol Weight 333.31 g/mol
Molecular Formula C17H14F3N3O
Exact Mass 333.108897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyoLkxCVBli
Name 1-(4-Methoxyphenyl)-5-methyl-4-(3-(trifluoromethyl)phenyl)-1H-1,2,3-triazole
Appearance White solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 333.108896571 u
Formula C17H14F3N3O
InChI InChI=1S/C17H14F3N3O/c1-11-16(12-4-3-5-13(10-12)17(18,19)20)21-22-23(11)14-6-8-15(24-2)9-7-14/h3-10H,1-2H3
InChIKey CMGWJKXQCAKDJB-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202200843
Molecular Weight 333.314 g/mol
Quality 206
Reported Formula C17H14F3N3O
SMILES COC1=CC=C(C=C1)N1N=NC(=C1C)C1=CC(=CC=C1)C(F)(F)F
SPLASH splash10-0bt9-1297000000-268ed34e2de1e0e4f490
Source of Spectrum K1-2022-SM11-3k (DOI: 10.1002/ejoc.202200843)
Wiley ID 1898809