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5-[2'-(Mercaptoethyl)aminomethylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
SpectraBase Compound ID LCY4INu33UT
InChI InChI=1S/C9H13NO4S/c1-9(2)13-7(11)6(8(12)14-9)5-10-3-4-15/h5,10,15H,3-4H2,1-2H3
InChIKey CWOLJQVUNFUOJR-UHFFFAOYSA-N
Mol Weight 231.27 g/mol
Molecular Formula C9H13NO4S
Exact Mass 231.056529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sKuwOl20m
Name 5-[2'-(Mercaptoethyl)aminomethylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Alternate Name(s) 5-[(2-mercaptoethylamino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione 2,2-Dimethyl-5-[(2-sulfanylethylamino)methylene]-1,3-dioxane-4,6-dione 2,2-Dimethyl-5-[(2-sulfanylethylamino)methylidene]-1,3-dioxane-4,6-dione
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Formula C9H13NO4S
InChI InChI=1S/C9H13NO4S/c1-9(2)13-7(11)6(8(12)14-9)5-10-3-4-15/h5,10,15H,3-4H2,1-2H3
InChIKey CWOLJQVUNFUOJR-UHFFFAOYSA-N
Molecular Weight 231.266 g/mol
SMILES N(C=C1C(OC(OC1=O)(C)C)=O)CCS
SPLASH splash10-074l-9300000000-2e3e65e1ae162dbc34b7
Source of Spectrum SK-27-488-2
Wiley ID 867579