| SpectraBase Compound ID | 6pjaxDKsus6 |
|---|---|
| InChI | InChI=1S/C11H20OS/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2 |
| InChIKey | RWGSOFKKHHHISV-UHFFFAOYSA-N |
| Mol Weight | 200.34 g/mol |
| Molecular Formula | C11H20OS |
| Exact Mass | 200.123486 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Hb3sp3sLUck |
|---|---|
| Name | Thioundecanolide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.123486437 u |
| Formula | C11H20OS |
| InChI | InChI=1S/C11H20OS/c12-11-9-7-5-3-1-2-4-6-8-10-13-11/h1-10H2 |
| InChIKey | RWGSOFKKHHHISV-UHFFFAOYSA-N |
| Molecular Weight | 200.340 g/mol |
| SMILES | C1(SCCCCCCCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872509 |