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2-propylsulfonylacetic acid methyl ester
SpectraBase Compound ID 1EGrIs45Xl6
InChI InChI=1S/C6H12O4S/c1-3-4-11(8,9)5-6(7)10-2/h3-5H2,1-2H3
InChIKey WGYJBXUOSYVHHU-UHFFFAOYSA-N
Mol Weight 180.22 g/mol
Molecular Formula C6H12O4S
Exact Mass 180.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJAkoh8anCS
Name 2-propylsulfonylacetic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C6H12O4S
InChI InChI=1S/C6H12O4S/c1-3-4-11(8,9)5-6(7)10-2/h3-5H2,1-2H3
InChIKey WGYJBXUOSYVHHU-UHFFFAOYSA-N
Molecular Weight 180.218 g/mol
SMILES C(S(=O)(=O)CCC)C(=O)OC
SPLASH splash10-00di-9000000000-1769d11076589ae6c029
Source of Spectrum B-47-1641-0
Synonyms methyl 2-propylsulfonylacetate methyl 2-propylsulfonylethanoate
Wiley ID 1175666