| SpectraBase Compound ID | IvUehEJNRxH |
|---|---|
| InChI | InChI=1S/C17H25NO3S/c1-2-3-4-5-6-12-21-17(20)14-9-7-11-18(14)16(19)15-10-8-13-22-15/h8,10,13-14H,2-7,9,11-12H2,1H3 |
| InChIKey | HPKNBQBOKWQGHJ-UHFFFAOYSA-N |
| Mol Weight | 323.45 g/mol |
| Molecular Formula | C17H25NO3S |
| Exact Mass | 323.155515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 99Vr2fy516i |
|---|---|
| Name | L-Proline, N-(thiophen-2-carbonyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.155514840 u |
| Formula | C17H25NO3S |
| InChI | InChI=1S/C17H25NO3S/c1-2-3-4-5-6-12-21-17(20)14-9-7-11-18(14)16(19)15-10-8-13-22-15/h8,10,13-14H,2-7,9,11-12H2,1H3 |
| InChIKey | HPKNBQBOKWQGHJ-UHFFFAOYSA-N |
| Molecular Weight | 323.451 g/mol |
| SMILES | CCCCCCCOC(C1N(C(C=2SC=CC2)=O)CCC1)=O |