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p-toluenesulfonic acid, 1-methyl -2-propynyl ester
SpectraBase Compound ID 7ulQ8DuHnmj
InChI InChI=1S/C11H12O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h1,5-8,10H,2-3H3
InChIKey XWRDBUBKBUYLQI-UHFFFAOYSA-N
Mol Weight 224.27 g/mol
Molecular Formula C11H12O3S
Exact Mass 224.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8RAdPCFgm7P
Name 1-Methyl-2-propynyl 4-methylbenzenesulfonate
Alternate Name(s) 1-Methyl-2-propynyl p-toluenesulfonate 1-Methylprop-2-ynyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid 1-methylprop-2-ynyl ester 4-Methylbenzenesulfonic acid but-3-yn-2-yl ester But-3-yn-2-yl 4-methylbenzenesulfonate
CAS Registry Number 53487-52-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12O3S
InChI InChI=1S/C11H12O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h1,5-8,10H,2-3H3
InChIKey XWRDBUBKBUYLQI-UHFFFAOYSA-N
Molecular Weight 224.274 g/mol
SMILES C#CC(C)OS(=O)(=O)c1ccc(C)cc1
SPLASH splash10-0006-9700000000-efbdff01b2958192975f
Source of Spectrum U-1995-1107-288
Wiley ID 766966