| 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
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| SpectraBase Spectrum ID | 16tT0UNP2Mo |
|---|---|
| Name | Thiodiacetic acid, diethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |