| SpectraBase Compound ID | 1tnXNcZcQmI |
|---|---|
| InChI | InChI=1S/C19H35NO4/c1-5-7-8-9-10-11-12-13-14-15-24-18(21)17(16(3)6-2)20-19(22)23-4/h5,16-17H,1,6-15H2,2-4H3,(H,20,22) |
| InChIKey | AKFUFHKLAOTJEG-UHFFFAOYSA-N |
| Mol Weight | 341.5 g/mol |
| Molecular Formula | C19H35NO4 |
| Exact Mass | 341.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAzTqVlwotO |
|---|---|
| Name | L-Isoleucine, N-methoxycarbonyl-, undec-10- enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.256608607 u |
| Formula | C19H35NO4 |
| InChI | InChI=1S/C19H35NO4/c1-5-7-8-9-10-11-12-13-14-15-24-18(21)17(16(3)6-2)20-19(22)23-4/h5,16-17H,1,6-15H2,2-4H3,(H,20,22) |
| InChIKey | AKFUFHKLAOTJEG-UHFFFAOYSA-N |
| Molecular Weight | 341.492 g/mol |
| SMILES | COC(NC(C(CC)C)C(OCCCCCCCCCC=C)=O)=O |