| SpectraBase Compound ID | FGTp0nPFDZd |
|---|---|
| InChI | InChI=1S/C15H21NO4/c1-4-11(2)13(14(17)19-3)16-15(18)20-10-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,18)/t11-,13+/m1/s1 |
| InChIKey | ZBZMOFHNRBDJTI-YPMHNXCESA-N |
| Mol Weight | 279.34 g/mol |
| Molecular Formula | C15H21NO4 |
| Exact Mass | 279.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2AHCbZuSxfH |
|---|---|
| Name | (+)-N-benzyloxycarbonyl-L-isoleucinate methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.147058156 u |
| Formula | C15H21NO4 |
| InChI | InChI=1S/C15H21NO4/c1-4-11(2)13(14(17)19-3)16-15(18)20-10-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,18)/t11-,13+/m1/s1 |
| InChIKey | ZBZMOFHNRBDJTI-YPMHNXCESA-N |
| SMILES | C(N[C@](C(=O)OC)([C@@](CC)(C)[H])[H])(=O)OCC=1C=CC=CC1 |