| SpectraBase Compound ID | 8i1zOmv3EfB |
|---|---|
| InChI | InChI=1S/C20H39NO4/c1-5-7-9-11-13-15-24-19(22)18(14-12-10-8-6-2)21-20(23)25-16-17(3)4/h17-18H,5-16H2,1-4H3,(H,21,23) |
| InChIKey | AIPMHQFJJZDZKQ-UHFFFAOYSA-N |
| Mol Weight | 357.5 g/mol |
| Molecular Formula | C20H39NO4 |
| Exact Mass | 357.287909 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Ifux0FW7H1F |
|---|---|
| Name | 2-Aminocaprylic acid, N-isobutoxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 357.287908736 u |
| Formula | C20H39NO4 |
| InChI | InChI=1S/C20H39NO4/c1-5-7-9-11-13-15-24-19(22)18(14-12-10-8-6-2)21-20(23)25-16-17(3)4/h17-18H,5-16H2,1-4H3,(H,21,23) |
| InChIKey | AIPMHQFJJZDZKQ-UHFFFAOYSA-N |
| Molecular Weight | 357.535 g/mol |
| SMILES | C(CC(NC(OCC(C)C)=O)C(=O)OCCCCCCC)CCCC |