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1-[5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-4-phenyl-butan-1-one

View entire compound with spectra: 1 MS (GC)

1-[5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-4-phenyl-butan-1-one
SpectraBase Compound ID EXd9tofK3UC
InChI InChI=1S/C20H18BrF3N2O2/c21-16-11-9-15(10-12-16)19(28)13-17(20(22,23)24)25-26(19)18(27)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,28H,4,7-8,13H2
InChIKey FMLLTKGWBTUDIF-UHFFFAOYSA-N
Mol Weight 455.28 g/mol
Molecular Formula C20H18BrF3N2O2
Exact Mass 454.050375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqSQTZ5G68G
Name 1-[5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-2-pyrazolin-1-yl]-4-phenyl-butan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18BrF3N2O2
InChI InChI=1S/C20H18BrF3N2O2/c21-16-11-9-15(10-12-16)19(28)13-17(20(22,23)24)25-26(19)18(27)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,9-12,28H,4,7-8,13H2
InChIKey FMLLTKGWBTUDIF-UHFFFAOYSA-N
Molecular Weight 455.275 g/mol
SMILES OC1(CC(=NN1C(CCCc1ccccc1)=O)C(F)(F)F)c1ccc(cc1)Br
SPLASH splash10-0006-9512000000-186721940c0a556394a5
Synonyms 1-[5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-1-butanone 1-[5-(4-bromophenyl)-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one 1-[5-(4-bromophenyl)-5-oxidanyl-3-(trifluoromethyl)-4H-pyrazol-1-yl]-4-phenyl-butan-1-one
Wiley ID 1446396