| SpectraBase Compound ID | DqdVSdK5Vp9 |
|---|---|
| InChI | InChI=1S/C16H31NO5/c1-5-7-8-9-10-21-15(18)14(13(3)6-2)17-16(19)22-12-11-20-4/h13-14H,5-12H2,1-4H3,(H,17,19) |
| InChIKey | OOTAMTNFNXXOOY-UHFFFAOYSA-N |
| Mol Weight | 317.43 g/mol |
| Molecular Formula | C16H31NO5 |
| Exact Mass | 317.220223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1q0ddrjxu8j |
|---|---|
| Name | L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.220223097 u |
| Formula | C16H31NO5 |
| InChI | InChI=1S/C16H31NO5/c1-5-7-8-9-10-21-15(18)14(13(3)6-2)17-16(19)22-12-11-20-4/h13-14H,5-12H2,1-4H3,(H,17,19) |
| InChIKey | OOTAMTNFNXXOOY-UHFFFAOYSA-N |
| Molecular Weight | 317.426 g/mol |
| SMILES | CCCCCCOC(C(NC(OCCOC)=O)C(C)CC)=O |