| SpectraBase Compound ID | LMrPyE58miJ |
|---|---|
| InChI | InChI=1S/C14H19NO3/c1-9(2)10(3)12(14(17)18)15-13(16)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,15,16)(H,17,18) |
| InChIKey | DXMOHOGHBITFKB-UHFFFAOYSA-N |
| Mol Weight | 249.31 g/mol |
| Molecular Formula | C14H19NO3 |
| Exact Mass | 249.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HCdEKuxEFe0 |
|---|---|
| Name | N-Benzoyl-3-methylleucine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.136493473 u |
| Formula | C14H19NO3 |
| InChI | InChI=1S/C14H19NO3/c1-9(2)10(3)12(14(17)18)15-13(16)11-7-5-4-6-8-11/h4-10,12H,1-3H3,(H,15,16)(H,17,18) |
| InChIKey | DXMOHOGHBITFKB-UHFFFAOYSA-N |
| Molecular Weight | 249.310 g/mol |
| SMILES | C1=CC(=CC=C1)C(NC(C(C(C)C)C)C(O)=O)=O |