| SpectraBase Compound ID | L1CkiVkrg6w |
|---|---|
| InChI | InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11)12-7-6-10/h2-5H,7H2,1H3 |
| InChIKey | IHBHXJPHHSWQBH-UHFFFAOYSA-N |
| Mol Weight | 195.24 g/mol |
| Molecular Formula | C9H9NO2S |
| Exact Mass | 195.0354 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ESTsgY9hOQG |
|---|---|
| Name | Tosylacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.035399706 u |
| Formula | C9H9NO2S |
| InChI | InChI=1S/C9H9NO2S/c1-8-2-4-9(5-3-8)13(11)12-7-6-10/h2-5H,7H2,1H3 |
| InChIKey | IHBHXJPHHSWQBH-UHFFFAOYSA-N |
| Molecular Weight | 195.236 g/mol |
| SMILES | C=1C(=CC=C(C1)S(OCC#N)=O)C |