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Threo-N-(1-(4-bromophenyl)-2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxopentyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID ChUsA1MdNNR
InChI InChI=1S/C27H25BrN2O5S/c1-3-24(31)23(16-30-26(32)21-6-4-5-7-22(21)27(30)33)25(18-10-12-19(28)13-11-18)29-36(34,35)20-14-8-17(2)9-15-20/h4-15,23,25,29H,3,16H2,1-2H3/t23-,25+/m1/s1
InChIKey BSEJVNIDYKVFEV-NOZRDPDXSA-N
Mol Weight 569.47 g/mol
Molecular Formula C27H25BrN2O5S
Exact Mass 568.066756 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7CEgTDfKpBc
Name Threo-N-(1-(4-bromophenyl)-2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxopentyl)-4-methylbenzenesulfonamide
Alternate Name(s) N-((1R,2S)-1-(4-bromophenyl)-2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxopentyl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25BrN2O5S
InChI InChI=1S/C27H25BrN2O5S/c1-3-24(31)23(16-30-26(32)21-6-4-5-7-22(21)27(30)33)25(18-10-12-19(28)13-11-18)29-36(34,35)20-14-8-17(2)9-15-20/h4-15,23,25,29H,3,16H2,1-2H3/t23-,25+/m1/s1
InChIKey BSEJVNIDYKVFEV-NOZRDPDXSA-N
Literature Reference DOI 10.1021/jo102143r
Molecular Weight 569.470 g/mol
SMILES N([C@]([C@@](C(CC)=O)(CN1C(c2c(C1=O)cccc2)=O)[H])(c1ccc(cc1)Br)[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-05nr-0696300000-c9aa5946ed6c2dfb635d
Source of Spectrum J-76-2888/SMS29-threo_5n
Wiley ID 1755563