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2-Butanol, 3-methyl-3-(phenylsulfonyl)-, 4-methylbenzenesulfonate
SpectraBase Compound ID oZvo9yVSKv
InChI InChI=1S/C18H22O5S2/c1-14-10-12-17(13-11-14)25(21,22)23-15(2)18(3,4)24(19,20)16-8-6-5-7-9-16/h5-13,15H,1-4H3
InChIKey GQMNCHOHKLEDJA-UHFFFAOYSA-N
Mol Weight 382.49 g/mol
Molecular Formula C18H22O5S2
Exact Mass 382.090866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KM8abr9vq9g
Name 2-Butanol, 3-methyl-3-(phenylsulfonyl)-, 4-methylbenzenesulfonate
CAS Registry Number 54523-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O5S2
InChI InChI=1S/C18H22O5S2/c1-14-10-12-17(13-11-14)25(21,22)23-15(2)18(3,4)24(19,20)16-8-6-5-7-9-16/h5-13,15H,1-4H3
InChIKey GQMNCHOHKLEDJA-UHFFFAOYSA-N
Molecular Weight 382.489 g/mol
SMILES C(S(=O)(=O)c1ccccc1)(C(OS(c1ccc(cc1)C)(=O)=O)C)(C)C
SPLASH splash10-0a4i-0930000000-e764a7f3dd17098574c5
Source of Spectrum KC-1976-2032-0
Synonyms 1,2-Dimethyl-2-(phenylsulfonyl)propyl 4-methylbenzenesulfonate 1,2-Dimethyl-2-phenylsulphonylpropyl toluene-p-sulphonate
Wiley ID 1360428