| SpectraBase Compound ID | JGmp4oS4LNo |
|---|---|
| InChI | InChI=1S/C8H16OS2/c1-7(3-4-9)8-10-5-2-6-11-8/h7-9H,2-6H2,1H3 |
| InChIKey | ZLFMJMFSWUHCLE-UHFFFAOYSA-N |
| Mol Weight | 192.33 g/mol |
| Molecular Formula | C8H16OS2 |
| Exact Mass | 192.064257 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L8sDDDKW5x9 |
|---|---|
| Name | 3-(1,3-Dithian-2-yl)butan-1-ol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.064257482 u |
| Formula | C8H16OS2 |
| InChI | InChI=1S/C8H16OS2/c1-7(3-4-9)8-10-5-2-6-11-8/h7-9H,2-6H2,1H3 |
| InChIKey | ZLFMJMFSWUHCLE-UHFFFAOYSA-N |
| Molecular Weight | 192.335 g/mol |
| SMILES | C(O)CC(C1SCCCS1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87971 |