| SpectraBase Compound ID | IEgliXffZnc |
|---|---|
| InChI | InChI=1S/C12H23NO3/c1-8(2)6-11(13-10(5)14)12(15)16-7-9(3)4/h8-9,11H,6-7H2,1-5H3,(H,13,14) |
| InChIKey | BUTCHHLYICLKKU-UHFFFAOYSA-N |
| Mol Weight | 229.32 g/mol |
| Molecular Formula | C12H23NO3 |
| Exact Mass | 229.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rU9An8cDoM |
|---|---|
| Name | N-Acetyl-dl-leucine, 2-methylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.167793602 u |
| Formula | C12H23NO3 |
| InChI | InChI=1S/C12H23NO3/c1-8(2)6-11(13-10(5)14)12(15)16-7-9(3)4/h8-9,11H,6-7H2,1-5H3,(H,13,14) |
| InChIKey | BUTCHHLYICLKKU-UHFFFAOYSA-N |
| Molecular Weight | 229.320 g/mol |
| SMILES | C(OCC(C)C)(C(CC(C)C)NC(C)=O)=O |