| SpectraBase Compound ID | GMa2N02iSWe |
|---|---|
| InChI | InChI=1S/C17H17NO2S/c1-13(2)14-8-10-15(11-9-14)17(12-18)21(19,20)16-6-4-3-5-7-16/h3-11,13,17H,1-2H3 |
| InChIKey | JOFFZMUTWMZPFP-UHFFFAOYSA-N |
| Mol Weight | 299.39 g/mol |
| Molecular Formula | C17H17NO2S |
| Exact Mass | 299.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | TAWj67IN6j |
|---|---|
| Name | 2-(Benzenesulfonyl)-2-(4-isopropylphenyl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.097999963 u |
| Formula | C17H17NO2S |
| InChI | InChI=1S/C17H17NO2S/c1-13(2)14-8-10-15(11-9-14)17(12-18)21(19,20)16-6-4-3-5-7-16/h3-11,13,17H,1-2H3 |
| InChIKey | JOFFZMUTWMZPFP-UHFFFAOYSA-N |
| Molecular Weight | 299.388 g/mol |
| SMILES | C(S(=O)(=O)C1=CC=CC=C1)(C#N)C=1C=CC(=CC1)C(C)C |