| SpectraBase Compound ID | J0jYMq7tNdT |
|---|---|
| InChI | InChI=1S/C15H21NO3S/c1-2-3-4-10-19-15(18)12-7-5-9-16(12)14(17)13-8-6-11-20-13/h6,8,11-12H,2-5,7,9-10H2,1H3 |
| InChIKey | KTFGSMLHTNXUMU-UHFFFAOYSA-N |
| Mol Weight | 295.4 g/mol |
| Molecular Formula | C15H21NO3S |
| Exact Mass | 295.124215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IA9g54a4uhc |
|---|---|
| Name | L-Proline, N-(thiophen-2-carbonyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.124214711 u |
| Formula | C15H21NO3S |
| InChI | InChI=1S/C15H21NO3S/c1-2-3-4-10-19-15(18)12-7-5-9-16(12)14(17)13-8-6-11-20-13/h6,8,11-12H,2-5,7,9-10H2,1H3 |
| InChIKey | KTFGSMLHTNXUMU-UHFFFAOYSA-N |
| Molecular Weight | 295.397 g/mol |
| SMILES | CCCCCOC(C1N(C(C=2SC=CC2)=O)CCC1)=O |