| SpectraBase Compound ID | 1Vtql0TNzQP |
|---|---|
| InChI | InChI=1S/C9H16OS2/c1-4-8(2,10)9(3)11-6-5-7-12-9/h4,10H,1,5-7H2,2-3H3 |
| InChIKey | STTNNKLBFYGDIJ-UHFFFAOYSA-N |
| Mol Weight | 204.35 g/mol |
| Molecular Formula | C9H16OS2 |
| Exact Mass | 204.064257 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9OFhBUikVVi |
|---|---|
| Name | 2-(2-Methyl-1,3-dithian-2-yl)-3-buten-2-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.064257482 u |
| Formula | C9H16OS2 |
| InChI | InChI=1S/C9H16OS2/c1-4-8(2,10)9(3)11-6-5-7-12-9/h4,10H,1,5-7H2,2-3H3 |
| InChIKey | STTNNKLBFYGDIJ-UHFFFAOYSA-N |
| Molecular Weight | 204.346 g/mol |
| SMILES | C1(C(C=C)(O)C)(SCCCS1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954889 |