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1-(4-Nitrophenyl)-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-Nitrophenyl)-4-{1-[8-(trifluoromethyl)quinolin -4-yl]-5-methyl-1H-1,2,3-triazol-4-yl}prop-2-en-1-one
SpectraBase Compound ID EUxZnNuXrJy
InChI InChI=1S/C22H14F3N5O3/c1-13-20(19(31)10-7-14-5-8-15(9-6-14)30(32)33)27-28-29(13)18-11-12-26-21-16(18)3-2-4-17(21)22(23,24)25/h2-12H,1H3/b10-7+
InChIKey TVWHWYJVOODIDV-JXMROGBWSA-N
Mol Weight 453.38 g/mol
Molecular Formula C22H14F3N5O3
Exact Mass 453.104874 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51rVNpyQzY
Name 1-(4-Nitrophenyl)-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 C22H14F3N5O3
InChI InChI=1S/C22H14F3N5O3/c1-13-20(19(31)10-7-14-5-8-15(9-6-14)30(32)33)27-28-29(13)18-11-12-26-21-16(18)3-2-4-17(21)22(23,24)25/h2-12H,1H3/b10-7+
InChIKey TVWHWYJVOODIDV-JXMROGBWSA-N
Molecular Weight 453.381 g/mol
SMILES c1(nn[n](c1C)-c1c2c(c(C(F)(F)F)ccc2)ncc1)C(\C=C\c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-05di-9500000000-8638d7f8247cbface235
Source of Spectrum EMC-40-1176-6e
Synonyms (E)-1-(5-methyl-1-(8-(trifluoromethyl)quinolin-4-yl)-1H-1,2,3-triazol-4-yl)-3-(4-nitrophenyl)prop-2-en-1-one (E)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolinyl]-4-triazolyl]-3-(4-nitrophenyl)-2-propen-1-one (E)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]-3-(4-nitrophenyl)prop-2-en-1-one (E)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]-1,2,3-triazol-4-yl]-3-(4-nitrophenyl)prop-2-en-1-one
Wiley ID 1734972