| SpectraBase Compound ID | Ej2vjVxoSns |
|---|---|
| InChI | InChI=1S/C10H15NO2S/c1-2-3-8-14(12,13)10-7-5-4-6-9(10)11/h4-7H,2-3,8,11H2,1H3 |
| InChIKey | JPZWHGFZYGEABQ-UHFFFAOYSA-N |
| Mol Weight | 213.29 g/mol |
| Molecular Formula | C10H15NO2S |
| Exact Mass | 213.08235 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HzBlTVSIA1E |
|---|---|
| Name | o-(Butylsulfonyl)aniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 213.082349899 u |
| Formula | C10H15NO2S |
| InChI | InChI=1S/C10H15NO2S/c1-2-3-8-14(12,13)10-7-5-4-6-9(10)11/h4-7H,2-3,8,11H2,1H3 |
| InChIKey | JPZWHGFZYGEABQ-UHFFFAOYSA-N |
| SMILES | NC=1C(=CC=CC1)S(=O)(=O)CCCC |
| Spectrum/Structure Validation Score (Raman) | 0.769218 |