| SpectraBase Compound ID | JiZmUXjzbyt |
|---|---|
| InChI | InChI=1S/C15H13NO2S/c1-12-2-8-15(9-3-12)19(17,18)11-14-6-4-13(10-16)5-7-14/h2-9H,11H2,1H3 |
| InChIKey | POWSRQJDCDYGKM-UHFFFAOYSA-N |
| Mol Weight | 271.33 g/mol |
| Molecular Formula | C15H13NO2S |
| Exact Mass | 271.0667 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AaMgXPF2rwP |
|---|---|
| Name | 4-(p-Tolylsulfonylmethyl)benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.066699835 u |
| Formula | C15H13NO2S |
| InChI | InChI=1S/C15H13NO2S/c1-12-2-8-15(9-3-12)19(17,18)11-14-6-4-13(10-16)5-7-14/h2-9H,11H2,1H3 |
| InChIKey | POWSRQJDCDYGKM-UHFFFAOYSA-N |
| SMILES | C=1(S(CC2=CC=C(C#N)C=C2)(=O)=O)C=CC(=CC1)C |