| SpectraBase Compound ID | 84TwUUesPBw |
|---|---|
| InChI | InChI=1S/C9H11NO4S/c11-9(12)6-7-10-15(13,14)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12) |
| InChIKey | IRSJDWBJMSUIBW-UHFFFAOYSA-N |
| Mol Weight | 229.25 g/mol |
| Molecular Formula | C9H11NO4S |
| Exact Mass | 229.040879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2RrWo4cHrPs |
|---|---|
| Name | beta-Alanine, N-(phenylsulfonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.040879008 u |
| Formula | C9H11NO4S |
| InChI | InChI=1S/C9H11NO4S/c11-9(12)6-7-10-15(13,14)8-4-2-1-3-5-8/h1-5,10H,6-7H2,(H,11,12) |
| InChIKey | IRSJDWBJMSUIBW-UHFFFAOYSA-N |
| Molecular Weight | 229.250 g/mol |
| SMILES | N(S(=O)(=O)C1=CC=CC=C1)CCC(=O)O |