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[R]-2-Hydroxy-2-[(methylsulfinyl)methyl]butanedioic acid dibenzyl ester
SpectraBase Compound ID IOJQNDw8tXR
InChI InChI=1S/C20H22O6S/c1-27(24)15-20(23,19(22)26-14-17-10-6-3-7-11-17)12-18(21)25-13-16-8-4-2-5-9-16/h2-11,23H,12-15H2,1H3/t20-,27?/m0/s1
InChIKey ZYLSZXMVVWWCKT-SVQMELKDSA-N
Mol Weight 390.45 g/mol
Molecular Formula C20H22O6S
Exact Mass 390.11371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FwL9K6WQoJ
Name [R]-2-Hydroxy-2-[(methylsulfinyl)methyl]butanedioic acid dibenzyl ester
Alternate Name(s) dibenzyl (2R)-2-hydroxy-2-[(methylsulfinyl)methyl]butanedioate [S-(2R*,R*)]-2-Hydroxy-2-[(methylsulfinyl)methyl]butanedioic acid dibenzyl ester [S-(2R*,S*)]-2-Hydroxy-2-[(methylsulfinyl)methyl]butanedioic acid dibenzyl ester
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Formula C20H22O6S
InChI InChI=1S/C20H22O6S/c1-27(24)15-20(23,19(22)26-14-17-10-6-3-7-11-17)12-18(21)25-13-16-8-4-2-5-9-16/h2-11,23H,12-15H2,1H3/t20-,27?/m0/s1
InChIKey ZYLSZXMVVWWCKT-SVQMELKDSA-N
Molecular Weight 390.450 g/mol
SMILES O[C@](CC(=O)OCc1ccccc1)(C(OCc1ccccc1)=O)CS(=O)C
SPLASH splash10-000f-9604000000-6b431dfb41f3d477103d
Source of Spectrum E1-35-4881-22
Wiley ID 1574548