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2-Oxotetrahydrothiophene-3-carboxylic acid
SpectraBase Compound ID EXpmZjDBmGC
InChI InChI=1S/C5H6O3S/c6-4(7)3-1-2-9-5(3)8/h3H,1-2H2,(H,6,7)
InChIKey JKAKOESBBJMHMZ-UHFFFAOYSA-N
Mol Weight 146.16 g/mol
Molecular Formula C5H6O3S
Exact Mass 146.003765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkkVJ4SaZTt
Name 2-Oxotetrahydrothiophene-3-carboxylic acid
Alternate Name(s) 2-ketotetrahydrothiophene-3-carboxylic acid 2-oxidanylidenethiolane-3-carboxylic acid 2-oxo-3-thiolanecarboxylic acid 2-oxothiolane-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C5H6O3S
InChI InChI=1S/C5H6O3S/c6-4(7)3-1-2-9-5(3)8/h3H,1-2H2,(H,6,7)
InChIKey JKAKOESBBJMHMZ-UHFFFAOYSA-N
Molecular Weight 146.160 g/mol
SMILES OC(C1C(SCC1)=O)=O
SPLASH splash10-0udi-0900000000-cae56c166ef752459008
Source of Spectrum SO-0-272-1
Wiley ID 876352