| SpectraBase Compound ID | Ajcb99LCQxA |
|---|---|
| InChI | InChI=1S/C11H23NO2/c1-5-7-8-12-10(9(3)6-2)11(13)14-4/h9-10,12H,5-8H2,1-4H3 |
| InChIKey | BNZIKMMGYBXIMW-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 | BY2Y8DEBoY3 |
|---|---|
| Name | L-Isoleucine, N-(N-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/c1-5-7-8-12-10(9(3)6-2)11(13)14-4/h9-10,12H,5-8H2,1-4H3 |
| InChIKey | BNZIKMMGYBXIMW-UHFFFAOYSA-N |
| Molecular Weight | 201.310 g/mol |
| SMILES | CCC(C(C(OC)=O)NCCCC)C |