| SpectraBase Compound ID | CAQrP1S7Mpm |
|---|---|
| InChI | InChI=1S/C17H35NO2/c1-6-9-11-13-18(14-12-10-7-2)16(15(4)8-3)17(19)20-5/h15-16H,6-14H2,1-5H3 |
| InChIKey | NKZQWKHWPAWYSA-UHFFFAOYSA-N |
| Mol Weight | 285.5 g/mol |
| Molecular Formula | C17H35NO2 |
| Exact Mass | 285.266779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XWvLzHdEhj |
|---|---|
| Name | L-Isoleucine, N,N-di(N-pentyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.266779369 u |
| Formula | C17H35NO2 |
| InChI | InChI=1S/C17H35NO2/c1-6-9-11-13-18(14-12-10-7-2)16(15(4)8-3)17(19)20-5/h15-16H,6-14H2,1-5H3 |
| InChIKey | NKZQWKHWPAWYSA-UHFFFAOYSA-N |
| SMILES | CCC(C(C(OC)=O)N(CCCCC)CCCCC)C |