| SpectraBase Compound ID | EeD0xS6FWAo |
|---|---|
| InChI | InChI=1S/C15H23NO2/c1-5-12(2)14(15(17)18-4)16(3)11-13-9-7-6-8-10-13/h6-10,12,14H,5,11H2,1-4H3 |
| InChIKey | ZAVRRPHYCPAADQ-UHFFFAOYSA-N |
| Mol Weight | 249.35 g/mol |
| Molecular Formula | C15H23NO2 |
| Exact Mass | 249.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HTkDFA58vqx |
|---|---|
| Name | L-Isoleucine, N-methyl-N-benzyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.172878983 u |
| Formula | C15H23NO2 |
| InChI | InChI=1S/C15H23NO2/c1-5-12(2)14(15(17)18-4)16(3)11-13-9-7-6-8-10-13/h6-10,12,14H,5,11H2,1-4H3 |
| InChIKey | ZAVRRPHYCPAADQ-UHFFFAOYSA-N |
| Molecular Weight | 249.354 g/mol |
| SMILES | C1(=CC=CC=C1)CN(C(C(OC)=O)C(C)CC)C |