| SpectraBase Compound ID | LMo9jjeUqxY |
|---|---|
| InChI | InChI=1S/C18H21NO3S/c1-13-10-14(2)18(15(3)11-13)23(21,22)19(16(4)20)12-17-8-6-5-7-9-17/h5-11H,12H2,1-4H3 |
| InChIKey | LYTPXKCWVXVUPJ-UHFFFAOYSA-N |
| Mol Weight | 331.43 g/mol |
| Molecular Formula | C18H21NO3S |
| Exact Mass | 331.124215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8D5VjTuOPKa |
|---|---|
| Name | N-Benzyl-2,4,6-trimethylbenzenesulfonamide, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 331.124214711 u |
| Formula | C18H21NO3S |
| InChI | InChI=1S/C18H21NO3S/c1-13-10-14(2)18(15(3)11-13)23(21,22)19(16(4)20)12-17-8-6-5-7-9-17/h5-11H,12H2,1-4H3 |
| InChIKey | LYTPXKCWVXVUPJ-UHFFFAOYSA-N |
| Molecular Weight | 331.430 g/mol |
| SMILES | C(N(S(=O)(=O)C1=C(C=C(C=C1C)C)C)C(C)=O)C1=CC=CC=C1 |