| SpectraBase Compound ID | 4iRid7wQgI2 |
|---|---|
| InChI | InChI=1S/C5H10OS2/c6-5-3-7-1-2-8-4-5/h5-6H,1-4H2 |
| InChIKey | XJPGLNWCRJNUJA-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 | 2roLubmA15n |
|---|---|
| Name | 1,4-Dithiepan-6-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/c6-5-3-7-1-2-8-4-5/h5-6H,1-4H2 |
| InChIKey | XJPGLNWCRJNUJA-UHFFFAOYSA-N |
| SMILES | OC1CSCCSC1 |
| Spectrum/Structure Validation Score (Raman) | 0.948768 |