| SpectraBase Compound ID | FObxE6FA1GP |
|---|---|
| InChI | InChI=1S/C7H7NS/c1-7(2)4-3-5-8-6-9/h1,5H2,2H3 |
| InChIKey | PFFALICQUXWYRR-UHFFFAOYSA-N |
| Mol Weight | 137.2 g/mol |
| Molecular Formula | C7H7NS |
| Exact Mass | 137.02992 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CL10q5jygqh |
|---|---|
| Name | 4-Methylpent-4-en-2-ynylimino-thioxo-methane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 137.029920403 u |
| Formula | C7H7NS |
| InChI | InChI=1S/C7H7NS/c1-7(2)4-3-5-8-6-9/h1,5H2,2H3 |
| InChIKey | PFFALICQUXWYRR-UHFFFAOYSA-N |
| SMILES | C(N=C=S)C#CC(=C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968294 |