| SpectraBase Compound ID | 6bpoPwVFsty |
|---|---|
| InChI | InChI=1S/C20H33NO3S/c1-3-4-5-6-7-8-9-10-11-12-15-24-20(23)17(2)21-19(22)18-14-13-16-25-18/h13-14,16-17H,3-12,15H2,1-2H3,(H,21,22) |
| InChIKey | YVXDJLBPYAMPRU-UHFFFAOYSA-N |
| Mol Weight | 367.5 g/mol |
| Molecular Formula | C20H33NO3S |
| Exact Mass | 367.218115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FrsEs8HSlEu |
|---|---|
| Name | L-Alanine, N-(2-thienylcarbonyl)-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.218115098 u |
| Formula | C20H33NO3S |
| InChI | InChI=1S/C20H33NO3S/c1-3-4-5-6-7-8-9-10-11-12-15-24-20(23)17(2)21-19(22)18-14-13-16-25-18/h13-14,16-17H,3-12,15H2,1-2H3,(H,21,22) |
| InChIKey | YVXDJLBPYAMPRU-UHFFFAOYSA-N |
| Molecular Weight | 367.548 g/mol |
| SMILES | CCCCCCCCCCCCOC(C(NC(C=1SC=CC1)=O)C)=O |