| SpectraBase Compound ID | DWpRg9v0NI2 |
|---|---|
| InChI | InChI=1S/C11H23NO2/c1-6-8(3)10(11(13)14-5)12-9(4)7-2/h8-10,12H,6-7H2,1-5H3 |
| InChIKey | FFJWEXZBODKDHH-UHFFFAOYSA-N |
| Mol Weight | 201.31 g/mol |
| Molecular Formula | C11H23NO2 |
| Exact Mass | 201.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgzpNlSsfLu |
|---|---|
| Name | L-Isoleucine, N-(2-butyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.172878983 u |
| Formula | C11H23NO2 |
| InChI | InChI=1S/C11H23NO2/c1-6-8(3)10(11(13)14-5)12-9(4)7-2/h8-10,12H,6-7H2,1-5H3 |
| InChIKey | FFJWEXZBODKDHH-UHFFFAOYSA-N |
| Molecular Weight | 201.310 g/mol |
| SMILES | CCC(C(C(OC)=O)NC(CC)C)C |