| SpectraBase Compound ID | EieLwgH4E5N |
|---|---|
| InChI | InChI=1S/C12H16N2O5S/c1-3-11(12(16)17)14-20(18,19)10-6-4-9(5-7-10)13-8(2)15/h4-7,11,14H,3H2,1-2H3,(H,13,15)(H,16,17) |
| InChIKey | DERCDELOZKOELA-UHFFFAOYSA-N |
| Mol Weight | 300.33 g/mol |
| Molecular Formula | C12H16N2O5S |
| Exact Mass | 300.077993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DUBnqqyzG5T |
|---|---|
| Name | 2-(4-Acetylamino-benzenesulfonylamino)-butyric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.077992792 u |
| Formula | C12H16N2O5S |
| InChI | InChI=1S/C12H16N2O5S/c1-3-11(12(16)17)14-20(18,19)10-6-4-9(5-7-10)13-8(2)15/h4-7,11,14H,3H2,1-2H3,(H,13,15)(H,16,17) |
| InChIKey | DERCDELOZKOELA-UHFFFAOYSA-N |
| Molecular Weight | 300.329 g/mol |
| SMILES | CCC(NS(C1=CC=C(NC(C)=O)C=C1)(=O)=O)C(=O)O |