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2-Butanol, 3-methyl-3-(phenylsulfinyl)-, 4-methylbenzenesulfonate, (R*,R*)-(.+-.)-
SpectraBase Compound ID LscSLGv7i7a
InChI InChI=1S/C18H22O4S2/c1-14-10-12-17(13-11-14)24(20,21)22-15(2)18(3,4)23(19)16-8-6-5-7-9-16/h5-13,15H,1-4H3
InChIKey UDMRLIREVIKIOY-UHFFFAOYSA-N
Mol Weight 366.49 g/mol
Molecular Formula C18H22O4S2
Exact Mass 366.095952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6mIrM1mHdOG
Name 2-Butanol, 3-methyl-3-(phenylsulfinyl)-, 4-methylbenzenesulfonate, (R*,R*)-(.+-.)-
Alternate Name(s) (1RS)-1,2-dimethyl-2-((RS)-phenylsulphinyl)propyl toluene-p-sulphonate 1,2-Dimethyl-2-(phenylsulfinyl)propyl 4-methylbenzenesulfonate
CAS Registry Number 62336-79-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O4S2
InChI InChI=1S/C18H22O4S2/c1-14-10-12-17(13-11-14)24(20,21)22-15(2)18(3,4)23(19)16-8-6-5-7-9-16/h5-13,15H,1-4H3
InChIKey UDMRLIREVIKIOY-UHFFFAOYSA-N
Molecular Weight 366.490 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(C(S(=O)c1ccccc1)(C)C)C
SPLASH splash10-05ko-5910000000-e1e5c2240be50a10ab49
Source of Spectrum KC-1976-2033-0
Wiley ID 1351799