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2,3-Butanediol, mono(4-methylbenzenesulfonate), [R-(R*,R*)]-
SpectraBase Compound ID EpKghxiXGph
InChI InChI=1S/C11H16O4S/c1-8-4-6-11(7-5-8)16(13,14)15-10(3)9(2)12/h4-7,9-10,12H,1-3H3/t9-,10-/m1/s1
InChIKey NRGLMPBJGLWMEB-NXEZZACHSA-N
Mol Weight 244.3 g/mol
Molecular Formula C11H16O4S
Exact Mass 244.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ek3GES0CT0
Name 2,3-Butanediol, mono(4-methylbenzenesulfonate), [R-(R*,R*)]-
CAS Registry Number 90846-73-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O4S
InChI InChI=1S/C11H16O4S/c1-8-4-6-11(7-5-8)16(13,14)15-10(3)9(2)12/h4-7,9-10,12H,1-3H3/t9-,10-/m1/s1
InChIKey NRGLMPBJGLWMEB-NXEZZACHSA-N
Molecular Weight 244.305 g/mol
SMILES O[C@@]([C@](OS(c1ccc(cc1)C)(=O)=O)(C)[H])(C)[H]
SPLASH splash10-052f-9410000000-ad3222258cd87495e348
Source of Spectrum H-67-842-0
Synonyms (-)-(1R,2R)-2-hydroxy-1-methylpropyl-p-toluenesulfonate (1R,2R)-2-hydroxy-1-methylpropyl 4-methylbenzenesulfonate
Wiley ID 1246647