| SpectraBase Compound ID | 9TCnYFWLTQW |
|---|---|
| InChI | InChI=1S/C12H15NO3S/c1-2-16-12(15)9-5-3-7-13(9)11(14)10-6-4-8-17-10/h4,6,8-9H,2-3,5,7H2,1H3 |
| InChIKey | DBYZFIVYXHZYAU-UHFFFAOYSA-N |
| Mol Weight | 253.32 g/mol |
| Molecular Formula | C12H15NO3S |
| Exact Mass | 253.077265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fobt8Z3Eme |
|---|---|
| Name | L-Proline, N-(thiophen-2-carbonyl)-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.077264518 u |
| Formula | C12H15NO3S |
| InChI | InChI=1S/C12H15NO3S/c1-2-16-12(15)9-5-3-7-13(9)11(14)10-6-4-8-17-10/h4,6,8-9H,2-3,5,7H2,1H3 |
| InChIKey | DBYZFIVYXHZYAU-UHFFFAOYSA-N |
| Molecular Weight | 253.316 g/mol |
| SMILES | C(N1CCCC1C(=O)OCC)(=O)C1=CC=CS1 |