| SpectraBase Compound ID | 7DhIiKOApLD |
|---|---|
| InChI | InChI=1S/C10H18O4S/c1-3-13-9(11)5-7-15-8-6-10(12)14-4-2/h3-8H2,1-2H3 |
| InChIKey | VCXUFKFNLUTDAX-UHFFFAOYSA-N |
| Mol Weight | 234.31 g/mol |
| Molecular Formula | C10H18O4S |
| Exact Mass | 234.09258 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6I4zpTV7bmm |
|---|---|
| Name | 3,3'-Thiodipropionic acid, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.092580230 u |
| Formula | C10H18O4S |
| InChI | InChI=1S/C10H18O4S/c1-3-13-9(11)5-7-15-8-6-10(12)14-4-2/h3-8H2,1-2H3 |
| InChIKey | VCXUFKFNLUTDAX-UHFFFAOYSA-N |
| Molecular Weight | 234.310 g/mol |
| SMILES | CCOC(CCSCCC(OCC)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.977107 |