| SpectraBase Compound ID | HADVJ4vYtJ1 |
|---|---|
| InChI | InChI=1S/C22H43NO4/c1-4-5-6-7-8-9-10-11-15-18-26-21(24)16-13-12-14-17-23-22(25)27-19-20(2)3/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey | GLAHBEYWCQPLDK-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 | 5pYvXbFo99W |
|---|---|
| Name | 6-Aminocaproic acid, N-isobutoxycarbonyl-, 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/c1-4-5-6-7-8-9-10-11-15-18-26-21(24)16-13-12-14-17-23-22(25)27-19-20(2)3/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey | GLAHBEYWCQPLDK-UHFFFAOYSA-N |
| Molecular Weight | 385.589 g/mol |
| SMILES | C(COC(NCCCCCC(OCCCCCCCCCCC)=O)=O)(C)C |