| SpectraBase Compound ID | BnBDYq3PWWP |
|---|---|
| InChI | InChI=1S/C9H20O5S2/c1-3-5-15(11,12)7-9(10)8-16(13,14)6-4-2/h9-10H,3-8H2,1-2H3 |
| InChIKey | KQJAVKRHYGAJMA-UHFFFAOYSA-N |
| Mol Weight | 272.37 g/mol |
| Molecular Formula | C9H20O5S2 |
| Exact Mass | 272.075216 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3I9F2nbUc0E |
|---|---|
| Name | 1,3-bis(Propylsulfonyl)-2-propanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.075216087 u |
| Formula | C9H20O5S2 |
| InChI | InChI=1S/C9H20O5S2/c1-3-5-15(11,12)7-9(10)8-16(13,14)6-4-2/h9-10H,3-8H2,1-2H3 |
| InChIKey | KQJAVKRHYGAJMA-UHFFFAOYSA-N |
| Molecular Weight | 272.374 g/mol |
| SMILES | OC(CS(CCC)(=O)=O)CS(=O)(=O)CCC |
| Spectrum/Structure Validation Score (Raman) | 0.904431 |