| SpectraBase Compound ID | Amcjkgx8tH2 |
|---|---|
| InChI | InChI=1S/C14H21NO2/c1-4-11(2)13(14(16)17-3)15-10-12-8-6-5-7-9-12/h5-9,11,13,15H,4,10H2,1-3H3 |
| InChIKey | PTFWBRJIWLYMTF-UHFFFAOYSA-N |
| Mol Weight | 235.33 g/mol |
| Molecular Formula | C14H21NO2 |
| Exact Mass | 235.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L0BTRio7VlM |
|---|---|
| Name | Benzyl-L-isoleucine, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.157228918 u |
| Formula | C14H21NO2 |
| InChI | InChI=1S/C14H21NO2/c1-4-11(2)13(14(16)17-3)15-10-12-8-6-5-7-9-12/h5-9,11,13,15H,4,10H2,1-3H3 |
| InChIKey | PTFWBRJIWLYMTF-UHFFFAOYSA-N |
| Molecular Weight | 235.327 g/mol |
| SMILES | C1(=CC=CC=C1)CNC(C(OC)=O)C(C)CC |