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1-(4-Methylphenyl)-4-{1-[8-(trifluoromethyl)quinolin -4-yl]-5-methyl-1H-1,2,3-triazol-4-yl}prop-2-en-1-one

View entire compound with spectra: 1 MS (GC)

1-(4-Methylphenyl)-4-{1-[8-(trifluoromethyl)quinolin -4-yl]-5-methyl-1H-1,2,3-triazol-4-yl}prop-2-en-1-one
SpectraBase Compound ID 7XlHW74mlhn
InChI InChI=1S/C23H17F3N4O/c1-14-6-8-16(9-7-14)10-11-20(31)21-15(2)30(29-28-21)19-12-13-27-22-17(19)4-3-5-18(22)23(24,25)26/h3-13H,1-2H3/b11-10+
InChIKey KCFKWRMAZYVZGJ-ZHACJKMWSA-N
Mol Weight 422.41 g/mol
Molecular Formula C23H17F3N4O
Exact Mass 422.135446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JifH11vTWYe
Name 1-(4-Methylphenyl)-4-{1-[8-(trifluoromethyl)quinolin -4-yl]-5-methyl-1H-1,2,3-triazol-4-yl}prop-2-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H17F3N4O
InChI InChI=1S/C23H17F3N4O/c1-14-6-8-16(9-7-14)10-11-20(31)21-15(2)30(29-28-21)19-12-13-27-22-17(19)4-3-5-18(22)23(24,25)26/h3-13H,1-2H3/b11-10+
InChIKey KCFKWRMAZYVZGJ-ZHACJKMWSA-N
Molecular Weight 422.411 g/mol
SMILES c1(nn[n](c1C)-c1c2c(c(C(F)(F)F)ccc2)ncc1)C(\C=C\c1ccc(cc1)C)=O
SPLASH splash10-0a4i-9800000000-c05172f0a3ccf0429fbf
Source of Spectrum EMC-40-1176-6b
Synonyms (E)-1-(5-methyl-1-(8-(trifluoromethyl)quinolin-4-yl)-1H-1,2,3-triazol-4-yl)-3-(p-tolyl)prop-2-en-1-one (E)-3-(4-methylphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolinyl]-4-triazolyl]-2-propen-1-one (E)-3-(4-methylphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one (E)-3-(4-methylphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]-1,2,3-triazol-4-yl]prop-2-en-1-one
Wiley ID 1734974