| SpectraBase Compound ID | CJC0EjMjRKq |
|---|---|
| InChI | InChI=1S/C5H7NS/c6-4-5-2-1-3-7-5/h5H,1-3H2 |
| InChIKey | WCHCAJNRBFUGJM-UHFFFAOYSA-N |
| Mol Weight | 113.18 g/mol |
| Molecular Formula | C5H7NS |
| Exact Mass | 113.02992 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DBeu9oMEmlV |
|---|---|
| Name | 2-Cyanotetrahydrothiophene |
| 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/c6-4-5-2-1-3-7-5/h5H,1-3H2 |
| InChIKey | WCHCAJNRBFUGJM-UHFFFAOYSA-N |
| Molecular Weight | 113.178 g/mol |
| SMILES | C(#N)C1SCCC1 |
| Spectrum/Structure Validation Score (Raman) | 0.705631 |