| SpectraBase Compound ID | B27OI812XIY |
|---|---|
| InChI | InChI=1S/C6H9NS/c7-4-2-1-3-6-5-8-6/h6H,1-3,5H2 |
| InChIKey | GWYOVZVXBRVBBE-UHFFFAOYSA-N |
| Mol Weight | 127.2 g/mol |
| Molecular Formula | C6H9NS |
| Exact Mass | 127.04557 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CysAS9Jbeqw |
|---|---|
| Name | 1-Cyano-4,5-epithiopentane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.045570468 u |
| Formula | C6H9NS |
| InChI | InChI=1S/C6H9NS/c7-4-2-1-3-6-5-8-6/h6H,1-3,5H2 |
| InChIKey | GWYOVZVXBRVBBE-UHFFFAOYSA-N |
| Molecular Weight | 127.205 g/mol |
| SMILES | C1SC1CCCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.847137 |