| SpectraBase Compound ID | 8n6NrisyVT3 |
|---|---|
| InChI | InChI=1S/C10H19NS2/c1-13-9-7-5-3-2-4-6-8-11-10-12/h2-9H2,1H3 |
| InChIKey | BFBMDZOSZQDEKW-UHFFFAOYSA-N |
| Mol Weight | 217.39 g/mol |
| Molecular Formula | C10H19NS2 |
| Exact Mass | 217.095892 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2CvnOvue3YU |
|---|---|
| Name | Jirsutin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.095891964 u |
| Formula | C10H19NS2 |
| InChI | InChI=1S/C10H19NS2/c1-13-9-7-5-3-2-4-6-8-11-10-12/h2-9H2,1H3 |
| InChIKey | BFBMDZOSZQDEKW-UHFFFAOYSA-N |
| Molecular Weight | 217.389 g/mol |
| SMILES | CSCCCCCCCCN=C=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.887369 |