| SpectraBase Compound ID | UGGSoflPPm |
|---|---|
| InChI | InChI=1S/C9H15NS/c1-2-5-8-6-3-4-7-10-9(8)11/h2,8H,1,3-7H2,(H,10,11) |
| InChIKey | IWWPMCPSEBQQEV-UHFFFAOYSA-N |
| Mol Weight | 169.29 g/mol |
| Molecular Formula | C9H15NS |
| Exact Mass | 169.092521 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2eJ3rbYYkM8 |
|---|---|
| Name | 2H-Azepine-2-thione, hexahydro-3-(2-propenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.092520661 u |
| Formula | C9H15NS |
| InChI | InChI=1S/C9H15NS/c1-2-5-8-6-3-4-7-10-9(8)11/h2,8H,1,3-7H2,(H,10,11) |
| InChIKey | IWWPMCPSEBQQEV-UHFFFAOYSA-N |
| Molecular Weight | 169.286 g/mol |
| SMILES | C1(NCCCCC1CC=C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.932797 |