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2-Hydroxy-1-methylpropyl 4-methylbenzenesulfonate
SpectraBase Compound ID 7JIgK5MZez8
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
InChIKey NRGLMPBJGLWMEB-UHFFFAOYSA-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 HrEu4lQe98u
Name 2-Hydroxy-1-methylpropyl 4-methylbenzenesulfonate
Alternate Name(s) 3-Hydroxybutan-2-yl 4-methylbenzenesulfonate 3-Oxidanylbutan-2-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (2-hydroxy-1-methyl-propyl) ester 4-Methylbenzenesulfonic acid 3-hydroxybutan-2-yl ester Toluene-4-sulfonic acid, 2-hydroxy-1-methylpropyl ester
CAS Registry Number 90846-71-2
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
InChIKey NRGLMPBJGLWMEB-UHFFFAOYSA-N
Molecular Weight 244.305 g/mol
SMILES OC(C(OS(c1ccc(cc1)C)(=O)=O)C)C
SPLASH splash10-052f-9500000000-f9d772d9bb07dd4b9633
Source of Spectrum H-67-840-0
Wiley ID 1246646