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[S-(2R*,S*)]-2-Hydroxy-2-[(S-methylsulfonimidoyl)methyl]butanedioic acid dibenzyl ester
SpectraBase Compound ID 4GSYz118Zfd
InChI InChI=1S/C20H23NO6S/c1-28(21,25)15-20(24,19(23)27-14-17-10-6-3-7-11-17)12-18(22)26-13-16-8-4-2-5-9-16/h2-11,21,24H,12-15H2,1H3/t20-,28-/m1/s1
InChIKey NFESXHFFWQPEGM-PIIWDFAUSA-N
Mol Weight 405.47 g/mol
Molecular Formula C20H23NO6S
Exact Mass 405.124609 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQbq2PswTnD
Name [S-(2R*,S*)]-2-Hydroxy-2-[(S-methylsulfonimidoyl)methyl]butanedioic acid dibenzyl ester
Alternate Name(s) dibenzyl (2S)-2-hydroxy-2-[(methylsulfonimidoyl)methyl]butanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23NO6S
InChI InChI=1S/C20H23NO6S/c1-28(21,25)15-20(24,19(23)27-14-17-10-6-3-7-11-17)12-18(22)26-13-16-8-4-2-5-9-16/h2-11,21,24H,12-15H2,1H3/t20-,28-/m1/s1
InChIKey NFESXHFFWQPEGM-PIIWDFAUSA-N
Molecular Weight 405.465 g/mol
SMILES N=[S@@](C[C@](CC(=O)OCc1ccccc1)(C(OCc1ccccc1)=O)O)(=O)C
SPLASH splash10-000f-9503000000-0853eb347cf7a99d3471
Source of Spectrum E1-35-4882-23
Wiley ID 1574547