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p-Toluenesulfonic acid, 2,2-dimethyl-3-hydroxypropyl ester
SpectraBase Compound ID BG0qOrC9fBo
InChI InChI=1S/C12H18O4S/c1-10-4-6-11(7-5-10)17(14,15)16-9-12(2,3)8-13/h4-7,13H,8-9H2,1-3H3
InChIKey GLIAEEACYRUJKS-UHFFFAOYSA-N
Mol Weight 258.33 g/mol
Molecular Formula C12H18O4S
Exact Mass 258.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H3VvbbXAUAQ
Name p-Toluenesulfonic acid, 2,2-dimethyl-3-hydroxypropyl ester
Alternate Name(s) (2,2-dimethyl-3-oxidanyl-propyl) 4-methylbenzenesulfonate (3-hydroxy-2,2-dimethyl-propyl) 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (3-hydroxy-2,2-dimethyl-propyl) ester 4-Methylbenzenesulfonic acid (3-hydroxy-2,2-dimethylpropyl) ester
CAS Registry Number 21651-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4S
InChI InChI=1S/C12H18O4S/c1-10-4-6-11(7-5-10)17(14,15)16-9-12(2,3)8-13/h4-7,13H,8-9H2,1-3H3
InChIKey GLIAEEACYRUJKS-UHFFFAOYSA-N
Molecular Weight 258.332 g/mol
SMILES OCC(COS(c1ccc(C)cc1)(=O)=O)(C)C
SPLASH splash10-0006-9200000000-facc3d755f04a5c4940a
Wiley ID 1478762