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4-(2-Methyl-1,3-dithiolan-2-yl)butanoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

4-(2-Methyl-1,3-dithiolan-2-yl)butanoic acid methyl ester
SpectraBase Compound ID L5MaZ80lI1i
InChI InChI=1S/C9H16O2S2/c1-9(12-6-7-13-9)5-3-4-8(10)11-2/h3-7H2,1-2H3
InChIKey FXDRCAJCSIINIA-UHFFFAOYSA-N
Mol Weight 220.34 g/mol
Molecular Formula C9H16O2S2
Exact Mass 220.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7oArCFpiYjC
Name 4-(2-Methyl-1,3-dithiolan-2-yl)butanoic acid methyl ester
Alternate Name(s) 4-(2-Methyl-1,3-dithiolan-2-yl)butyric acid methyl ester Methyl 4-(2-methyl-1,3-dithiolan-2-yl)butanoate
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Formula C9H16O2S2
InChI InChI=1S/C9H16O2S2/c1-9(12-6-7-13-9)5-3-4-8(10)11-2/h3-7H2,1-2H3
InChIKey FXDRCAJCSIINIA-UHFFFAOYSA-N
Molecular Weight 220.345 g/mol
SMILES C1(SCCS1)(CCCC(=O)OC)C
SPLASH splash10-014i-4910000000-c7fd48071b9c2ea96ff6
Source of Spectrum Y1-31-617-3
Wiley ID 1525827