| SpectraBase Compound ID | 5qE6mBFJ4cd |
|---|---|
| InChI | InChI=1S/C13H19NO3S/c1-3-4-5-8-17-13(16)10(2)14-12(15)11-7-6-9-18-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15) |
| InChIKey | XLKMCOXEBJSQCI-UHFFFAOYSA-N |
| Mol Weight | 269.36 g/mol |
| Molecular Formula | C13H19NO3S |
| Exact Mass | 269.108565 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5JSZEU7vmNX |
|---|---|
| Name | L-Alanine, N-(2-thienylcarbonyl)-, pentyl 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/c1-3-4-5-8-17-13(16)10(2)14-12(15)11-7-6-9-18-11/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15) |
| InChIKey | XLKMCOXEBJSQCI-UHFFFAOYSA-N |
| SMILES | CC(NC(C=1SC=CC1)=O)C(OCCCCC)=O |