![4-[(Diisobutylamino)sulfonyl]benzoic acid](/api/spectrum/8Mdbt9iIQP6/structure.png?h=300&w=458 "4-[(Diisobutylamino)sulfonyl]benzoic acid")
| SpectraBase Compound ID | ImFHgot18c7 |
|---|---|
| InChI | InChI=1S/C15H23NO4S/c1-11(2)9-16(10-12(3)4)21(19,20)14-7-5-13(6-8-14)15(17)18/h5-8,11-12H,9-10H2,1-4H3,(H,17,18) |
| InChIKey | SBMWIDCANKNKIX-UHFFFAOYSA-N |
| Mol Weight | 313.41 g/mol |
| Molecular Formula | C15H23NO4S |
| Exact Mass | 313.134779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8Mdbt9iIQP6 |
|---|---|
| Name | Benzoic acid, 4-[4-di(2-methylpropyl)aminosulfonyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.134779395 u |
| Formula | C15H23NO4S |
| InChI | InChI=1S/C15H23NO4S/c1-11(2)9-16(10-12(3)4)21(19,20)14-7-5-13(6-8-14)15(17)18/h5-8,11-12H,9-10H2,1-4H3,(H,17,18) |
| InChIKey | SBMWIDCANKNKIX-UHFFFAOYSA-N |
| Molecular Weight | 313.412 g/mol |
| SMILES | CC(C)CN(S(C1=CC=C(C(=O)O)C=C1)(=O)=O)CC(C)C |