| SpectraBase Compound ID | 7kYb9TouAQ7 |
|---|---|
| InChI | InChI=1S/C5H10OS2/c1-4-7-2-5(6)3-8-4/h4-6H,2-3H2,1H3 |
| InChIKey | XCTUBFHJOFGZGX-UHFFFAOYSA-N |
| Mol Weight | 150.25 g/mol |
| Molecular Formula | C5H10OS2 |
| Exact Mass | 150.017307 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2dzOzfvVdyx |
|---|---|
| Name | 2-Methyl-m-dithian-5-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.017307289 u |
| Formula | C5H10OS2 |
| InChI | InChI=1S/C5H10OS2/c1-4-7-2-5(6)3-8-4/h4-6H,2-3H2,1H3 |
| InChIKey | XCTUBFHJOFGZGX-UHFFFAOYSA-N |
| SMILES | OC1CSC(SC1)C |
| Spectrum/Structure Validation Score (Raman) | 0.904667 |