| SpectraBase Compound ID | 1INDJ5n2lSB |
|---|---|
| InChI | InChI=1S/C13H19NO3S/c1-3-4-7-17-13(16)10(2)14-12(15)9-11-6-5-8-18-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,14,15) |
| InChIKey | PVGAERUQAHEWSM-UHFFFAOYSA-N |
| Mol Weight | 269.36 g/mol |
| Molecular Formula | C13H19NO3S |
| Exact Mass | 269.108565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L2YctpZCWG5 |
|---|---|
| Name | L-Alanine, N-(2-thienylacetyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 269.108564647 u |
| Formula | C13H19NO3S |
| InChI | InChI=1S/C13H19NO3S/c1-3-4-7-17-13(16)10(2)14-12(15)9-11-6-5-8-18-11/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,14,15) |
| InChIKey | PVGAERUQAHEWSM-UHFFFAOYSA-N |
| SMILES | CC(NC(CC=1SC=CC1)=O)C(OCCCC)=O |