| SpectraBase Compound ID | DrZeYaX6RBb |
|---|---|
| InChI | InChI=1S/C17H27NO3S/c1-3-4-5-6-7-8-11-21-17(20)14(2)18-16(19)13-15-10-9-12-22-15/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,18,19) |
| InChIKey | RJEVAGRDJHLQRG-UHFFFAOYSA-N |
| Mol Weight | 325.47 g/mol |
| Molecular Formula | C17H27NO3S |
| Exact Mass | 325.171165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lha7YEIScVl |
|---|---|
| Name | L-Alanine, N-(2-thienylacetyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.171164904 u |
| Formula | C17H27NO3S |
| InChI | InChI=1S/C17H27NO3S/c1-3-4-5-6-7-8-11-21-17(20)14(2)18-16(19)13-15-10-9-12-22-15/h9-10,12,14H,3-8,11,13H2,1-2H3,(H,18,19) |
| InChIKey | RJEVAGRDJHLQRG-UHFFFAOYSA-N |
| Molecular Weight | 325.467 g/mol |
| SMILES | CC(NC(CC=1SC=CC1)=O)C(OCCCCCCCC)=O |