| SpectraBase Compound ID | JqM5ezHoyZJ |
|---|---|
| InChI | InChI=1S/C4H5NOS/c1-4(6)7-3-2-5/h3H2,1H3 |
| InChIKey | XMDLKUYYOPPWRL-UHFFFAOYSA-N |
| Mol Weight | 115.15 g/mol |
| Molecular Formula | C4H5NOS |
| Exact Mass | 115.009185 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JXUddrtdL36 |
|---|---|
| Name | Acetylthioacetonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 115.009184958 u |
| Formula | C4H5NOS |
| InChI | InChI=1S/C4H5NOS/c1-4(6)7-3-2-5/h3H2,1H3 |
| InChIKey | XMDLKUYYOPPWRL-UHFFFAOYSA-N |
| Molecular Weight | 115.150 g/mol |
| SMILES | C(C)(=O)SCC#N |
| Spectrum/Structure Validation Score (Raman) | 0.971634 |