| SpectraBase Compound ID | KqXDmnqqTOF |
|---|---|
| InChI | InChI=1S/C11H15NO2S/c1-9-3-2-4-10(7-9)12-11-5-6-15(13,14)8-11/h2-4,7,11-12H,5-6,8H2,1H3 |
| InChIKey | BKUNRPHSVGRPOU-UHFFFAOYSA-N |
| Mol Weight | 225.31 g/mol |
| Molecular Formula | C11H15NO2S |
| Exact Mass | 225.08235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8uATsA7GCg2 |
|---|---|
| Name | N-(3-Methylphenyl)tetrahydro-3-thiophenamine 1,1-dioxide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 225.082349899 u |
| Formula | C11H15NO2S |
| InChI | InChI=1S/C11H15NO2S/c1-9-3-2-4-10(7-9)12-11-5-6-15(13,14)8-11/h2-4,7,11-12H,5-6,8H2,1H3 |
| InChIKey | BKUNRPHSVGRPOU-UHFFFAOYSA-N |
| Molecular Weight | 225.306 g/mol |
| SMILES | N(C1CS(=O)(=O)CC1)C=1C=C(C)C=CC1 |