| SpectraBase Compound ID | AYz4njLurv3 |
|---|---|
| InChI | InChI=1S/C14H21NO3S/c1-3-4-5-8-18-14(17)11(2)15-13(16)10-12-7-6-9-19-12/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,15,16) |
| InChIKey | QKQZEXFFEQQYIA-UHFFFAOYSA-N |
| Mol Weight | 283.39 g/mol |
| Molecular Formula | C14H21NO3S |
| Exact Mass | 283.124215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8UMJeECnC4u |
|---|---|
| Name | L-Alanine, N-(2-thienylacetyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.124214711 u |
| Formula | C14H21NO3S |
| InChI | InChI=1S/C14H21NO3S/c1-3-4-5-8-18-14(17)11(2)15-13(16)10-12-7-6-9-19-12/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,15,16) |
| InChIKey | QKQZEXFFEQQYIA-UHFFFAOYSA-N |
| SMILES | CC(NC(CC=1SC=CC1)=O)C(OCCCCC)=O |