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2-Oxidanylidenepropyl 4-methylbenzenesulfonate
SpectraBase Compound ID 2pGTO0oKzv3
InChI InChI=1S/C10H12O4S/c1-8-3-5-10(6-4-8)15(12,13)14-7-9(2)11/h3-6H,7H2,1-2H3
InChIKey PMXQYMFAWGAWGF-UHFFFAOYSA-N
Mol Weight 228.26 g/mol
Molecular Formula C10H12O4S
Exact Mass 228.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Jp1ANa1BVk
Name 2-Oxidanylidenepropyl 4-methylbenzenesulfonate
Alternate Name(s) 2-Oxopropyl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid 2-oxopropyl ester 4-Methylbenzenesulfonic acid acetonyl ester Acetonyl 4-methylbenzenesulfonate
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Formula C10H12O4S
InChI InChI=1S/C10H12O4S/c1-8-3-5-10(6-4-8)15(12,13)14-7-9(2)11/h3-6H,7H2,1-2H3
InChIKey PMXQYMFAWGAWGF-UHFFFAOYSA-N
Molecular Weight 228.262 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)C(=O)C
SPLASH splash10-00kf-9300000000-decd8b17ef5491fce4ee
Source of Spectrum H-2005-4151-37
Wiley ID 1563210