| SpectraBase Compound ID | 9c5eTGSqo8W |
|---|---|
| InChI | InChI=1S/C22H43NO4/c1-4-7-9-11-12-13-14-15-17-19-27-21(24)20(18-16-10-8-5-2)23-22(25)26-6-3/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey | UXPFHPQYHKMLST-UHFFFAOYSA-N |
| Mol Weight | 385.6 g/mol |
| Molecular Formula | C22H43NO4 |
| Exact Mass | 385.319209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AJXcV9q8k66 |
|---|---|
| Name | 2-Aminocaprylic acid, N-ethoxycarbonyl-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.319208865 u |
| Formula | C22H43NO4 |
| InChI | InChI=1S/C22H43NO4/c1-4-7-9-11-12-13-14-15-17-19-27-21(24)20(18-16-10-8-5-2)23-22(25)26-6-3/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey | UXPFHPQYHKMLST-UHFFFAOYSA-N |
| Molecular Weight | 385.589 g/mol |
| SMILES | C(C(NC(OCC)=O)C(=O)OCCCCCCCCCCC)CCCCC |