| SpectraBase Compound ID | 1kGyhLIWpe6 |
|---|---|
| InChI | InChI=1S/C18H35NO5/c1-5-7-8-9-10-11-12-23-17(20)16(15(3)6-2)19-18(21)24-14-13-22-4/h15-16H,5-14H2,1-4H3,(H,19,21) |
| InChIKey | IXXOHNLBWCYFJA-UHFFFAOYSA-N |
| Mol Weight | 345.5 g/mol |
| Molecular Formula | C18H35NO5 |
| Exact Mass | 345.251523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BMJqkdU8y54 |
|---|---|
| Name | L-Isoleucine, N-(2-methoxyethoxycarbonyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 345.251523226 u |
| Formula | C18H35NO5 |
| InChI | InChI=1S/C18H35NO5/c1-5-7-8-9-10-11-12-23-17(20)16(15(3)6-2)19-18(21)24-14-13-22-4/h15-16H,5-14H2,1-4H3,(H,19,21) |
| InChIKey | IXXOHNLBWCYFJA-UHFFFAOYSA-N |
| Molecular Weight | 345.480 g/mol |
| SMILES | CCCCCCCCOC(C(NC(OCCOC)=O)C(C)CC)=O |