| SpectraBase Compound ID | 20Ll9RiwxQr |
|---|---|
| InChI | InChI=1S/C13H12ClNO2S/c14-13(10-4-2-1-3-5-10)18(16,17)12-8-6-11(15)7-9-12/h1-9,13H,15H2 |
| InChIKey | WLWWOOJBMLDPLN-UHFFFAOYSA-N |
| Mol Weight | 281.76 g/mol |
| Molecular Formula | C13H12ClNO2S |
| Exact Mass | 281.027728 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FROIfQb4fwp |
|---|---|
| Name | 4-Aminophenyl-.alpha.-chlorobenzyl sulfone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.027727502 u |
| Formula | C13H12ClNO2S |
| InChI | InChI=1S/C13H12ClNO2S/c14-13(10-4-2-1-3-5-10)18(16,17)12-8-6-11(15)7-9-12/h1-9,13H,15H2 |
| InChIKey | WLWWOOJBMLDPLN-UHFFFAOYSA-N |
| SMILES | C1=CC=CC=C1C(Cl)S(=O)(=O)C=1C=CC(N)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941843 |