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2,3-Butanediol, bis(4-methylbenzenesulfonate), (R*,S*)-
SpectraBase Compound ID 4IVwv7arXbQ
InChI InChI=1S/C18H22O6S2/c1-13-5-9-17(10-6-13)25(19,20)23-15(3)16(4)24-26(21,22)18-11-7-14(2)8-12-18/h5-12,15-16H,1-4H3/t15-,16+
InChIKey MFRBMNNZDFDJOF-IYBDPMFKSA-N
Mol Weight 398.49 g/mol
Molecular Formula C18H22O6S2
Exact Mass 398.085781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CEcmwBgVkkB
Name 2,3-Butanediol, bis(4-methylbenzenesulfonate), (R*,S*)-
Alternate Name(s) (1R,2S)-1-methyl-2-{[(4-methylphenyl)sulfonyl]oxy}propyl 4-methylbenzenesulfonate meso-dimethylethylene di-p-toluenesulfonate
CAS Registry Number 90026-01-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O6S2
InChI InChI=1S/C18H22O6S2/c1-13-5-9-17(10-6-13)25(19,20)23-15(3)16(4)24-26(21,22)18-11-7-14(2)8-12-18/h5-12,15-16H,1-4H3/t15-,16+
InChIKey MFRBMNNZDFDJOF-IYBDPMFKSA-N
Molecular Weight 398.488 g/mol
SMILES [C@@](OS(c1ccc(cc1)C)(=O)=O)([C@@](OS(c1ccc(cc1)C)(=O)=O)(C)[H])(C)[H]
SPLASH splash10-0a4l-9400000000-84eb53cf7b147c6c6306
Source of Spectrum H-67-842-0
Wiley ID 1368213