| SpectraBase Compound ID | Lo90Lj8ezjK |
|---|---|
| InChI | InChI=1S/C11H21NO3S/c1-8(2)7-10(13)12-9(5-6-16-4)11(14)15-3/h8-9H,5-7H2,1-4H3,(H,12,13) |
| InChIKey | MMJDXFLWZGLRLU-UHFFFAOYSA-N |
| Mol Weight | 247.35 g/mol |
| Molecular Formula | C11H21NO3S |
| Exact Mass | 247.124215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75xiBwAE1B1 |
|---|---|
| Name | 2-(Isovalerylamino)-4-(methylthio)butyric acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.124214711 u |
| Formula | C11H21NO3S |
| InChI | InChI=1S/C11H21NO3S/c1-8(2)7-10(13)12-9(5-6-16-4)11(14)15-3/h8-9H,5-7H2,1-4H3,(H,12,13) |
| InChIKey | MMJDXFLWZGLRLU-UHFFFAOYSA-N |
| Molecular Weight | 247.353 g/mol |
| SMILES | C(=O)(NC(CCSC)C(=O)OC)CC(C)C |