| SpectraBase Compound ID | 2ihDeQeu9jT |
|---|---|
| InChI | InChI=1S/C15H13NO3S/c1-19-14-6-8-15(9-7-14)20(17,18)11-13-4-2-12(10-16)3-5-13/h2-9H,11H2,1H3 |
| InChIKey | JIOQRCDGCQWGBU-UHFFFAOYSA-N |
| Mol Weight | 287.33 g/mol |
| Molecular Formula | C15H13NO3S |
| Exact Mass | 287.061614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LJfbo5GzvNZ |
|---|---|
| Name | (4-Cyanobenzyl)(4-methoxyphenyl)sulphone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.061614454 u |
| Formula | C15H13NO3S |
| InChI | InChI=1S/C15H13NO3S/c1-19-14-6-8-15(9-7-14)20(17,18)11-13-4-2-12(10-16)3-5-13/h2-9H,11H2,1H3 |
| InChIKey | JIOQRCDGCQWGBU-UHFFFAOYSA-N |
| SMILES | C=1(S(CC2=CC=C(C#N)C=C2)(=O)=O)C=CC(=CC1)OC |