| SpectraBase Compound ID | CdI67sgF9iU |
|---|---|
| InChI | InChI=1S/C6H11NS/c1-2-3-5-8-6-4-7/h2-3,5-6H2,1H3 |
| InChIKey | LRMUBLYDYGZCDR-UHFFFAOYSA-N |
| Mol Weight | 129.22 g/mol |
| Molecular Formula | C6H11NS |
| Exact Mass | 129.061221 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LgVwRYji02A |
|---|---|
| Name | (N-Butylthio)acetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 129.061220532 u |
| Formula | C6H11NS |
| InChI | InChI=1S/C6H11NS/c1-2-3-5-8-6-4-7/h2-3,5-6H2,1H3 |
| InChIKey | LRMUBLYDYGZCDR-UHFFFAOYSA-N |
| Molecular Weight | 129.221 g/mol |
| SMILES | C(SCCCC)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970316 |