| SpectraBase Compound ID | DeEui3tWc2T |
|---|---|
| InChI | InChI=1S/C5H7NO2S/c6-4-5-2-1-3-9(5,7)8/h5H,1-3H2 |
| InChIKey | HWIMUILMAKIPFO-UHFFFAOYSA-N |
| Mol Weight | 145.18 g/mol |
| Molecular Formula | C5H7NO2S |
| Exact Mass | 145.01975 g/mol |
Raman Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GnQYdznWI2D |
|---|---|
| Name | Tetrahydro-2-thiophenecarbonitrile, 1,1-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.019749641 u |
| Formula | C5H7NO2S |
| InChI | InChI=1S/C5H7NO2S/c6-4-5-2-1-3-9(5,7)8/h5H,1-3H2 |
| InChIKey | HWIMUILMAKIPFO-UHFFFAOYSA-N |
| SMILES | C1CCC(S1(=O)=O)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.986459 |