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2-(3-ketobutyl)-1,3-dithiane-2-carboxylic acid ethyl ester
SpectraBase Compound ID 9YfkHrPQDc
InChI InChI=1S/C11H18O3S2/c1-3-14-10(13)11(6-5-9(2)12)15-7-4-8-16-11/h3-8H2,1-2H3
InChIKey OCUXGTSGQQCXOE-UHFFFAOYSA-N
Mol Weight 262.38 g/mol
Molecular Formula C11H18O3S2
Exact Mass 262.069737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xrtIW4L2Q
Name 2-(3-ketobutyl)-1,3-dithiane-2-carboxylic acid ethyl ester
Alternate Name(s) 2-(3-oxobutyl)-1,3-dithiane-2-carboxylic acid ethyl ester Ethyl 2-(3-oxidanylidenebutyl)-1,3-dithiane-2-carboxylate Ethyl 2-(3-oxobutyl)-1,3-dithiane-2-carboxylate
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Formula C11H18O3S2
InChI InChI=1S/C11H18O3S2/c1-3-14-10(13)11(6-5-9(2)12)15-7-4-8-16-11/h3-8H2,1-2H3
InChIKey OCUXGTSGQQCXOE-UHFFFAOYSA-N
Molecular Weight 262.382 g/mol
SMILES C1(C(=O)OCC)(SCCCS1)CCC(=O)C
SPLASH splash10-000i-0910000000-3af254d6bf63a5531ece
Source of Spectrum J-59-1631-12
Wiley ID 1265331