| SpectraBase Compound ID | LlneXpTvIvJ |
|---|---|
| InChI | InChI=1S/C22H43NO4/c1-3-5-7-8-9-10-11-12-16-20-26-21(24)17-14-13-15-18-23-22(25)27-19-6-4-2/h3-20H2,1-2H3,(H,23,25) |
| InChIKey | OJKAGJQAWQVUNR-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 | D8WYBbGRnrT |
|---|---|
| Name | 6-Aminocaproic acid, N-butoxycarbonyl-, 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/c1-3-5-7-8-9-10-11-12-16-20-26-21(24)17-14-13-15-18-23-22(25)27-19-6-4-2/h3-20H2,1-2H3,(H,23,25) |
| InChIKey | OJKAGJQAWQVUNR-UHFFFAOYSA-N |
| Molecular Weight | 385.589 g/mol |
| SMILES | CCCCOC(NCCCCCC(OCCCCCCCCCCC)=O)=O |