| SpectraBase Compound ID | 1P8XmGqHoMv |
|---|---|
| InChI | InChI=1S/C16H31NO5/c1-6-13(4)14(17-16(19)22-11-10-20-5)15(18)21-9-7-8-12(2)3/h12-14H,6-11H2,1-5H3,(H,17,19) |
| InChIKey | CKCIBPNTZRYGRT-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 | 1LwzBLoGewS |
|---|---|
| Name | L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, isohexyl 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/c1-6-13(4)14(17-16(19)22-11-10-20-5)15(18)21-9-7-8-12(2)3/h12-14H,6-11H2,1-5H3,(H,17,19) |
| InChIKey | CKCIBPNTZRYGRT-UHFFFAOYSA-N |
| Molecular Weight | 317.426 g/mol |
| SMILES | CC(C)CCCOC(C(NC(OCCOC)=O)C(C)CC)=O |