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Threo-N-(2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxo-1-(4-(trifluoromethyl)phenyl)pentyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 9xZXezb0Ytq
InChI InChI=1S/C28H25F3N2O5S/c1-3-24(34)23(16-33-26(35)21-6-4-5-7-22(21)27(33)36)25(18-10-12-19(13-11-18)28(29,30)31)32-39(37,38)20-14-8-17(2)9-15-20/h4-15,23,25,32H,3,16H2,1-2H3/t23-,25+/m1/s1
InChIKey FCHIHUXCVRLLJQ-NOZRDPDXSA-N
Mol Weight 558.57 g/mol
Molecular Formula C28H25F3N2O5S
Exact Mass 558.143628 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1F3FqUzQCir
Name Threo-N-(2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxo-1-(4-(trifluoromethyl)phenyl)pentyl)-4-methylbenzenesulfonamide
Alternate Name(s) N-((1R,2S)-2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxo-1-(4-(trifluoromethyl)phenyl)pentyl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25F3N2O5S
InChI InChI=1S/C28H25F3N2O5S/c1-3-24(34)23(16-33-26(35)21-6-4-5-7-22(21)27(33)36)25(18-10-12-19(13-11-18)28(29,30)31)32-39(37,38)20-14-8-17(2)9-15-20/h4-15,23,25,32H,3,16H2,1-2H3/t23-,25+/m1/s1
InChIKey FCHIHUXCVRLLJQ-NOZRDPDXSA-N
Molecular Weight 558.572 g/mol
SMILES N([C@]([C@@](C(=O)CC)(CN1C(=O)c2c(cccc2)C1=O)[H])(c1ccc(cc1)C(F)(F)F)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0udi-0311900000-f1e6f355d8b48fabd45d
Source of Spectrum J-76-2888/SMS30-threo_5o
Wiley ID 1755564