| SpectraBase Compound ID | 3rPC1rPaYMM |
|---|---|
| InChI | InChI=1S/C13H19NO3S/c1-9(2)8-17-13(16)10(3)14-12(15)7-11-5-4-6-18-11/h4-6,9-10H,7-8H2,1-3H3,(H,14,15) |
| InChIKey | ITVBNFJJRIJPBH-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 | 1EpxvqgsUva |
|---|---|
| Name | L-Alanine, N-(2-thienylacetyl)-, isobutyl 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/c1-9(2)8-17-13(16)10(3)14-12(15)7-11-5-4-6-18-11/h4-6,9-10H,7-8H2,1-3H3,(H,14,15) |
| InChIKey | ITVBNFJJRIJPBH-UHFFFAOYSA-N |
| SMILES | CC(C)COC(C(NC(CC=1SC=CC1)=O)C)=O |