| SpectraBase Compound ID | JwzOIWJuBUH |
|---|---|
| InChI | InChI=1S/C21H41NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-26-20(23)19(18(3)6-2)22-21(24)25-4/h18-19H,5-17H2,1-4H3,(H,22,24) |
| InChIKey | ZQFGXGLWWZTOSP-UHFFFAOYSA-N |
| Mol Weight | 371.6 g/mol |
| Molecular Formula | C21H41NO4 |
| Exact Mass | 371.303559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H3nFOQyoUP7 |
|---|---|
| Name | L-Isoleucine, N-methoxycarbonyl-, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.303558800 u |
| Formula | C21H41NO4 |
| InChI | InChI=1S/C21H41NO4/c1-5-7-8-9-10-11-12-13-14-15-16-17-26-20(23)19(18(3)6-2)22-21(24)25-4/h18-19H,5-17H2,1-4H3,(H,22,24) |
| InChIKey | ZQFGXGLWWZTOSP-UHFFFAOYSA-N |
| Molecular Weight | 371.562 g/mol |
| SMILES | COC(NC(C(CC)C)C(OCCCCCCCCCCCCC)=O)=O |