| SpectraBase Compound ID | JRZG2eKS4Re |
|---|---|
| InChI | InChI=1S/C13H12O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | YBRXHRWLEFCFEG-UHFFFAOYSA-N |
| Mol Weight | 232.3 g/mol |
| Molecular Formula | C13H12O2S |
| Exact Mass | 232.055801 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CtwDY3iavu6 |
|---|---|
| Name | 4-Methylphenyl-phenylsulfone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.055800798 u |
| Formula | C13H12O2S |
| InChI | InChI=1S/C13H12O2S/c1-11-7-9-13(10-8-11)16(14,15)12-5-3-2-4-6-12/h2-10H,1H3 |
| InChIKey | YBRXHRWLEFCFEG-UHFFFAOYSA-N |
| Molecular Weight | 232.297 g/mol |
| SMILES | C=1C=C(S(C=2C=CC(=CC2)C)(=O)=O)C=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.879 |