| SpectraBase Compound ID | DH1f8rONNQ3 |
|---|---|
| InChI | InChI=1S/C21H41NO4/c1-5-7-9-11-12-14-16-25-20(23)19(15-13-10-8-6-2)22-21(24)26-17-18(3)4/h18-19H,5-17H2,1-4H3,(H,22,24) |
| InChIKey | OGRJBHGXKFVAOJ-UHFFFAOYSA-N |
| Mol Weight | 371.6 g/mol |
| Molecular Formula | C21H41NO4 |
| Exact Mass | 371.303559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LhIQPtBsteu |
|---|---|
| Name | 2-Aminocaprylic acid, N-isobutoxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 371.303558800 u |
| Formula | C21H41NO4 |
| InChI | InChI=1S/C21H41NO4/c1-5-7-9-11-12-14-16-25-20(23)19(15-13-10-8-6-2)22-21(24)26-17-18(3)4/h18-19H,5-17H2,1-4H3,(H,22,24) |
| InChIKey | OGRJBHGXKFVAOJ-UHFFFAOYSA-N |
| Molecular Weight | 371.562 g/mol |
| SMILES | C(CC(NC(OCC(C)C)=O)C(=O)OCCCCCCCC)CCCC |