![(2-Methyl[1,3]dithian-2-yl)methanol](/api/spectrum/7GFnx5UMPbe/structure.png?h=300&w=458 "(2-Methyl[1,3]dithian-2-yl)methanol")
| SpectraBase Compound ID | LequTsIAiDR |
|---|---|
| InChI | InChI=1S/C6H12OS2/c1-6(5-7)8-3-2-4-9-6/h7H,2-5H2,1H3 |
| InChIKey | ORWHLVHMJUWPLY-UHFFFAOYSA-N |
| Mol Weight | 164.28 g/mol |
| Molecular Formula | C6H12OS2 |
| Exact Mass | 164.032957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7GFnx5UMPbe |
|---|---|
| Name | (2-Methyl[1,3]dithian-2-yl)methanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.032957353 u |
| Formula | C6H12OS2 |
| InChI | InChI=1S/C6H12OS2/c1-6(5-7)8-3-2-4-9-6/h7H,2-5H2,1H3 |
| InChIKey | ORWHLVHMJUWPLY-UHFFFAOYSA-N |
| Molecular Weight | 164.281 g/mol |
| SMILES | C1(SCCCS1)(CO)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954975 |