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Threo-N-(1-(4-chlorophenyl)-2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxobutyl)-4-methylbenzenesulfonamide
SpectraBase Compound ID 5H0hHJ0H7mm
InChI InChI=1S/C26H23ClN2O5S/c1-16-7-13-20(14-8-16)35(33,34)28-24(18-9-11-19(27)12-10-18)23(17(2)30)15-29-25(31)21-5-3-4-6-22(21)26(29)32/h3-14,23-24,28H,15H2,1-2H3/t23-,24+/m1/s1
InChIKey RAVASWBLRKVSIQ-RPWUZVMVSA-N
Mol Weight 510.99 g/mol
Molecular Formula C26H23ClN2O5S
Exact Mass 510.101621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KLTeIQqSPWu
Name Threo-N-(1-(4-chlorophenyl)-2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxobutyl)-4-methylbenzenesulfonamide
Alternate Name(s) N-((1R,2S)-1-(4-chlorophenyl)-2-((1,3-dioxoisoindolin-2-yl)methyl)-3-oxobutyl)-4-methylbenzenesulfonamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23ClN2O5S
InChI InChI=1S/C26H23ClN2O5S/c1-16-7-13-20(14-8-16)35(33,34)28-24(18-9-11-19(27)12-10-18)23(17(2)30)15-29-25(31)21-5-3-4-6-22(21)26(29)32/h3-14,23-24,28H,15H2,1-2H3/t23-,24+/m1/s1
InChIKey RAVASWBLRKVSIQ-RPWUZVMVSA-N
Literature Reference DOI 10.1021/jo102143r
Molecular Weight 510.992 g/mol
SMILES N([C@@](c1ccc(cc1)Cl)([C@](CN1C(=O)c2c(cccc2)C1=O)(C(C)=O)[H])[H])S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4l-1951000000-138caaa62b617e0cfd89
Source of Spectrum J-76-2888/SMS21-threo_5h
Wiley ID 1755561