![.beta.-alanine, N-[(2-aminophenyl)sulfonyl]-, ethyl ester](/api/spectrum/7ypIvXmqY7d/structure.png?h=300&w=458 ".beta.-alanine, N-[(2-aminophenyl)sulfonyl]-, ethyl ester")
| SpectraBase Compound ID | DuVo97wtPuS |
|---|---|
| InChI | InChI=1S/C11H16N2O4S/c1-2-17-11(14)7-8-13-18(15,16)10-6-4-3-5-9(10)12/h3-6,13H,2,7-8,12H2,1H3 |
| InChIKey | JOTRTCHIGRXOQL-UHFFFAOYSA-N |
| Mol Weight | 272.32 g/mol |
| Molecular Formula | C11H16N2O4S |
| Exact Mass | 272.083078 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ypIvXmqY7d |
|---|---|
| Name | .beta.-Alanine, N-[(2-aminophenyl)sulfonyl]-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.083078173 u |
| Formula | C11H16N2O4S |
| InChI | InChI=1S/C11H16N2O4S/c1-2-17-11(14)7-8-13-18(15,16)10-6-4-3-5-9(10)12/h3-6,13H,2,7-8,12H2,1H3 |
| InChIKey | JOTRTCHIGRXOQL-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CCNS(=O)(=O)C1=CC=CC=C1N |