| SpectraBase Compound ID | 7ZUwDej3lLV |
|---|---|
| InChI | InChI=1S/C13H9NO2S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-9H |
| InChIKey | LJGXGJNDLQYPQK-UHFFFAOYSA-N |
| Mol Weight | 243.28 g/mol |
| Molecular Formula | C13H9NO2S |
| Exact Mass | 243.0354 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2F478MePp44 |
|---|---|
| Name | p-(Phenylsulfonyl)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.035399706 u |
| Formula | C13H9NO2S |
| InChI | InChI=1S/C13H9NO2S/c14-10-11-6-8-13(9-7-11)17(15,16)12-4-2-1-3-5-12/h1-9H |
| InChIKey | LJGXGJNDLQYPQK-UHFFFAOYSA-N |
| Molecular Weight | 243.280 g/mol |
| SMILES | C=1C(=CC=CC1)S(=O)(=O)C=1C=CC(=CC1)C#N |
| Spectrum/Structure Validation Score (Raman) | 0.970155 |