| SpectraBase Compound ID | 6QWcxYLFkjQ |
|---|---|
| InChI | InChI=1S/C4H7NS/c1-6-4-2-3-5/h2,4H2,1H3 |
| InChIKey | INDWVHABTMSBCJ-UHFFFAOYSA-N |
| Mol Weight | 101.17 g/mol |
| Molecular Formula | C4H7NS |
| Exact Mass | 101.02992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D1uUGomlfbM |
|---|---|
| Name | Propanenitrile, 3-(methylthio)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 101.029920403 u |
| Formula | C4H7NS |
| InChI | InChI=1S/C4H7NS/c1-6-4-2-3-5/h2,4H2,1H3 |
| InChIKey | INDWVHABTMSBCJ-UHFFFAOYSA-N |
| Molecular Weight | 101.167 g/mol |
| SMILES | C(CC#N)SC |