| SpectraBase Compound ID | Kgf0j9z0iGB |
|---|---|
| InChI | InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2 |
| InChIKey | SKIHGKNFJKJXPX-UHFFFAOYSA-N |
| Mol Weight | 113.18 g/mol |
| Molecular Formula | C5H7NS |
| Exact Mass | 113.02992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FsVwLHTmt1G |
|---|---|
| Name | 1-Butene, 4-isothiocyanato- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 113.029920403 u |
| Formula | C5H7NS |
| InChI | InChI=1S/C5H7NS/c1-2-3-4-6-5-7/h2H,1,3-4H2 |
| InChIKey | SKIHGKNFJKJXPX-UHFFFAOYSA-N |
| Molecular Weight | 113.178 g/mol |
| SMILES | C(CN=C=S)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.846611 |