| SpectraBase Compound ID | 4lLPrrnwJP8 |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-5-12(2)14(15(18)20-3)17(16(19)21-4)11-13-9-7-6-8-10-13/h6-10,12,14H,5,11H2,1-4H3 |
| InChIKey | XCSVYXWHQLJYDZ-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HbzLFGAyOHE |
|---|---|
| Name | Benzyl-L-isoleucine, N-methoxycarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.162708221 u |
| Formula | C16H23NO4 |
| InChI | InChI=1S/C16H23NO4/c1-5-12(2)14(15(18)20-3)17(16(19)21-4)11-13-9-7-6-8-10-13/h6-10,12,14H,5,11H2,1-4H3 |
| InChIKey | XCSVYXWHQLJYDZ-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)CN(C(C(OC)=O)C(C)CC)C(OC)=O |