| SpectraBase Compound ID | H1SMF3NBQ9g |
|---|---|
| InChI | InChI=1S/C7H9NO3S2/c9-5-4-13-7(12)8(5)3-1-2-6(10)11/h1-4H2,(H,10,11) |
| InChIKey | KCDHBLVYRSYUBV-UHFFFAOYSA-N |
| Mol Weight | 219.27 g/mol |
| Molecular Formula | C7H9NO3S2 |
| Exact Mass | 219.002385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5etVZhVcjGP |
|---|---|
| Name | 4-(4-oxo-2-Thioxo-1,3-thiazolidin-3-yl)butanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.002385499 u |
| Formula | C7H9NO3S2 |
| InChI | InChI=1S/C7H9NO3S2/c9-5-4-13-7(12)8(5)3-1-2-6(10)11/h1-4H2,(H,10,11) |
| InChIKey | KCDHBLVYRSYUBV-UHFFFAOYSA-N |
| Molecular Weight | 219.273 g/mol |
| SMILES | C1SC(N(C1=O)CCCC(=O)O)=S |