| SpectraBase Compound ID | 9YMaVEwPcP3 |
|---|---|
| InChI | InChI=1S/C8H15NOS/c1-3-10-6-5-8(7-9)11-4-2/h8H,3-6H2,1-2H3 |
| InChIKey | GTUSNIITJHSSBX-UHFFFAOYSA-N |
| Mol Weight | 173.27 g/mol |
| Molecular Formula | C8H15NOS |
| Exact Mass | 173.087435 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FYKHruC5ER3 |
|---|---|
| Name | 2-Thioethyl (1'-ethoxy)butyronitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.087435280 u |
| Formula | C8H15NOS |
| InChI | InChI=1S/C8H15NOS/c1-3-10-6-5-8(7-9)11-4-2/h8H,3-6H2,1-2H3 |
| InChIKey | GTUSNIITJHSSBX-UHFFFAOYSA-N |
| Molecular Weight | 173.274 g/mol |
| SMILES | C(#N)C(SCC)CCOCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945629 |