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N-[4-bromanyl-1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)butanamide

View entire compound with spectra: 1 MS (GC)

N-[4-bromanyl-1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)butanamide
SpectraBase Compound ID 5PwRXTrnAhN
InChI InChI=1S/C16H13BrClF6N3O2/c1-8-12(17)13(26-27(8)7-9-2-4-10(18)5-3-9)25-11(28)6-14(29,15(19,20)21)16(22,23)24/h2-5,29H,6-7H2,1H3,(H,25,26,28)
InChIKey JHCRHFSHLKYDFE-UHFFFAOYSA-N
Mol Weight 508.65 g/mol
Molecular Formula C16H13BrClF6N3O2
Exact Mass 506.978386 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aIWwUwlfb9
Name N-[4-bromanyl-1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-4,4,4-tris(fluoranyl)-3-oxidanyl-3-(trifluoromethyl)butanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13BrClF6N3O2
InChI InChI=1S/C16H13BrClF6N3O2/c1-8-12(17)13(26-27(8)7-9-2-4-10(18)5-3-9)25-11(28)6-14(29,15(19,20)21)16(22,23)24/h2-5,29H,6-7H2,1H3,(H,25,26,28)
InChIKey JHCRHFSHLKYDFE-UHFFFAOYSA-N
Molecular Weight 508.646 g/mol
SMILES N(c1c(c([n](n1)Cc1ccc(Cl)cc1)C)Br)C(CC(C(F)(F)F)(C(F)(F)F)O)=O
SPLASH splash10-056r-3933140000-1cfc716edbdc2cb6ff83
Synonyms N-[4-bromo-1-(4-chlorobenzyl)-5-methyl-1H-pyrazol-3-yl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide N-[4-bromo-1-(4-chlorobenzyl)-5-methyl-pyrazol-3-yl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butyramide N-[4-bromo-1-[(4-chlorophenyl)methyl]-5-methyl-3-pyrazolyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide N-[4-bromo-1-[(4-chlorophenyl)methyl]-5-methyl-pyrazol-3-yl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide
Wiley ID 1512423