| SpectraBase Compound ID | JNmKC5OIZcj |
|---|---|
| InChI | InChI=1S/C12H23NO4/c1-5-7-8-17-11(14)10(9(3)6-2)13-12(15)16-4/h9-10H,5-8H2,1-4H3,(H,13,15) |
| InChIKey | GGSUZJRCYAEBOX-UHFFFAOYSA-N |
| Mol Weight | 245.32 g/mol |
| Molecular Formula | C12H23NO4 |
| Exact Mass | 245.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CQH3Aaj6F8N |
|---|---|
| Name | L-Isoleucine, N-methoxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.162708221 u |
| Formula | C12H23NO4 |
| InChI | InChI=1S/C12H23NO4/c1-5-7-8-17-11(14)10(9(3)6-2)13-12(15)16-4/h9-10H,5-8H2,1-4H3,(H,13,15) |
| InChIKey | GGSUZJRCYAEBOX-UHFFFAOYSA-N |
| Molecular Weight | 245.319 g/mol |
| SMILES | COC(NC(C(CC)C)C(OCCCC)=O)=O |