| SpectraBase Compound ID | Lqmuj4E4Jnd |
|---|---|
| InChI | InChI=1S/C18H27NO3S/c1-2-3-4-5-6-7-13-22-18(21)15-10-8-12-19(15)17(20)16-11-9-14-23-16/h9,11,14-15H,2-8,10,12-13H2,1H3 |
| InChIKey | PWQWLROLLYFVLT-UHFFFAOYSA-N |
| Mol Weight | 337.48 g/mol |
| Molecular Formula | C18H27NO3S |
| Exact Mass | 337.171165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7KSM7p041hJ |
|---|---|
| Name | L-Proline, N-(thiophen-2-carbonyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.171164904 u |
| Formula | C18H27NO3S |
| InChI | InChI=1S/C18H27NO3S/c1-2-3-4-5-6-7-13-22-18(21)15-10-8-12-19(15)17(20)16-11-9-14-23-16/h9,11,14-15H,2-8,10,12-13H2,1H3 |
| InChIKey | PWQWLROLLYFVLT-UHFFFAOYSA-N |
| Molecular Weight | 337.478 g/mol |
| SMILES | CCCCCCCCOC(C1N(C(C=2SC=CC2)=O)CCC1)=O |