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Thiodiacetic acid, diethyl ester
SpectraBase Compound ID IBL63NsGnan
InChI InChI=1S/C8H14O4S/c1-3-11-7(9)5-13-6-8(10)12-4-2/h3-6H2,1-2H3
InChIKey TVCSSJHLVLMADJ-UHFFFAOYSA-N
Mol Weight 206.26 g/mol
Molecular Formula C8H14O4S
Exact Mass 206.06128 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16tT0UNP2Mo
Name Thiodiacetic acid, diethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 206.061280101 u
Formula C8H14O4S
InChI InChI=1S/C8H14O4S/c1-3-11-7(9)5-13-6-8(10)12-4-2/h3-6H2,1-2H3
InChIKey TVCSSJHLVLMADJ-UHFFFAOYSA-N
Molecular Weight 206.256 g/mol
SMILES CCOC(CSCC(OCC)=O)=O