| SpectraBase Compound ID | 8n01DrTkpq6 |
|---|---|
| InChI | InChI=1S/C7H12O4S2/c1-4(6(8)9)12-3-13-5(2)7(10)11/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11) |
| InChIKey | MWRZTYMWLMGRRT-UHFFFAOYSA-N |
| Mol Weight | 224.29 g/mol |
| Molecular Formula | C7H12O4S2 |
| Exact Mass | 224.017701 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6viFBDaEpi8 |
|---|---|
| Name | 2,2'-(Methylenedithio)dipropionic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.017701210 u |
| Formula | C7H12O4S2 |
| InChI | InChI=1S/C7H12O4S2/c1-4(6(8)9)12-3-13-5(2)7(10)11/h4-5H,3H2,1-2H3,(H,8,9)(H,10,11) |
| InChIKey | MWRZTYMWLMGRRT-UHFFFAOYSA-N |
| SMILES | OC(C(SCSC(C(O)=O)C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.937523 |