| SpectraBase Compound ID | L6B4e5M8hWN |
|---|---|
| InChI | InChI=1S/C10H16OS2/c1-2-3-5-9-8-10(11)13-7-4-6-12-9/h8H,2-7H2,1H3/b9-8- |
| InChIKey | FQQRSYHRFWTHEZ-HJWRWDBZSA-N |
| Mol Weight | 216.36 g/mol |
| Molecular Formula | C10H16OS2 |
| Exact Mass | 216.064257 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7HaY3WZIQmB |
|---|---|
| Name | (7Z)-8-Butyl-3,4-dihydro-2H-1,5-dithiocin-6-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.064257482 u |
| Formula | C10H16OS2 |
| InChI | InChI=1S/C10H16OS2/c1-2-3-5-9-8-10(11)13-7-4-6-12-9/h8H,2-7H2,1H3/b9-8- |
| InChIKey | FQQRSYHRFWTHEZ-HJWRWDBZSA-N |
| Molecular Weight | 216.357 g/mol |
| SMILES | C1(\C=C\(SCCCS1)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.98352 |