| SpectraBase Compound ID | GHxgcLLNYgC |
|---|---|
| InChI | InChI=1S/C11H16OS2/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h8-9H,1-7H2 |
| InChIKey | FHWMIJCVRWCTLV-UHFFFAOYSA-N |
| Mol Weight | 228.37 g/mol |
| Molecular Formula | C11H16OS2 |
| Exact Mass | 228.064257 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E22hHqIAToI |
|---|---|
| Name | 4-[1,3]Dithian-2-ylidene-cyclohexanecarboxaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.064257482 u |
| Formula | C11H16OS2 |
| InChI | InChI=1S/C11H16OS2/c12-8-9-2-4-10(5-3-9)11-13-6-1-7-14-11/h8-9H,1-7H2 |
| InChIKey | FHWMIJCVRWCTLV-UHFFFAOYSA-N |
| Molecular Weight | 228.368 g/mol |
| SMILES | C(=O)C1CCC(=C2SCCCS2)CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931149 |