| SpectraBase Compound ID | 9SzNQg9HQLv |
|---|---|
| InChI | InChI=1S/C8H15NO4S/c10-8(11)4-3-7-14(12,13)9-5-1-2-6-9/h1-7H2,(H,10,11) |
| InChIKey | PGJFODMCZUGNGA-UHFFFAOYSA-N |
| Mol Weight | 221.27 g/mol |
| Molecular Formula | C8H15NO4S |
| Exact Mass | 221.072179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2XGMWWt8LV |
|---|---|
| Name | 4-(Pyrrolidin-1-ylsulfonyl)butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.072179137 u |
| Formula | C8H15NO4S |
| InChI | InChI=1S/C8H15NO4S/c10-8(11)4-3-7-14(12,13)9-5-1-2-6-9/h1-7H2,(H,10,11) |
| InChIKey | PGJFODMCZUGNGA-UHFFFAOYSA-N |
| Molecular Weight | 221.271 g/mol |
| SMILES | C(O)(=O)CCCS(=O)(=O)N1CCCC1 |