| SpectraBase Compound ID | 5O3A0Vcs1VW |
|---|---|
| InChI | InChI=1S/C14H21NO3S/c1-10(2)6-4-8-18-14(17)11(3)15-13(16)12-7-5-9-19-12/h5,7,9-11H,4,6,8H2,1-3H3,(H,15,16) |
| InChIKey | IMLHSLDEKVPJJZ-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 | 72S80Kp8OBk |
|---|---|
| Name | L-Alanine, N-(2-thienylcarbonyl)-, isohexyl 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/c1-10(2)6-4-8-18-14(17)11(3)15-13(16)12-7-5-9-19-12/h5,7,9-11H,4,6,8H2,1-3H3,(H,15,16) |
| InChIKey | IMLHSLDEKVPJJZ-UHFFFAOYSA-N |
| SMILES | CC(C)CCCOC(C(NC(C=1SC=CC1)=O)C)=O |