| SpectraBase Compound ID | Bl1xhX7qyzJ |
|---|---|
| InChI | InChI=1S/C16H23NO3S/c1-2-3-4-5-11-20-16(19)13-8-6-10-17(13)15(18)14-9-7-12-21-14/h7,9,12-13H,2-6,8,10-11H2,1H3 |
| InChIKey | IDMSVDZKNLBESY-UHFFFAOYSA-N |
| Mol Weight | 309.42 g/mol |
| Molecular Formula | C16H23NO3S |
| Exact Mass | 309.139865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4EgRXCFSDVu |
|---|---|
| Name | L-Proline, N-(thiophen-2-carbonyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.139864776 u |
| Formula | C16H23NO3S |
| InChI | InChI=1S/C16H23NO3S/c1-2-3-4-5-11-20-16(19)13-8-6-10-17(13)15(18)14-9-7-12-21-14/h7,9,12-13H,2-6,8,10-11H2,1H3 |
| InChIKey | IDMSVDZKNLBESY-UHFFFAOYSA-N |
| Molecular Weight | 309.424 g/mol |
| SMILES | CCCCCCOC(C1N(C(C=2SC=CC2)=O)CCC1)=O |