| SpectraBase Compound ID | 72OlKA2p6Dd |
|---|---|
| InChI | InChI=1S/C20H39NO4/c1-4-7-9-11-12-14-17-24-19(22)18(15-13-10-8-5-2)21-20(23)25-16-6-3/h18H,4-17H2,1-3H3,(H,21,23) |
| InChIKey | WECBQEUKLQGBCH-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 | 497hDWB8UCP |
|---|---|
| Name | 2-Aminocaprylic acid, N-propoxycarbonyl-, octyl 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/c1-4-7-9-11-12-14-17-24-19(22)18(15-13-10-8-5-2)21-20(23)25-16-6-3/h18H,4-17H2,1-3H3,(H,21,23) |
| InChIKey | WECBQEUKLQGBCH-UHFFFAOYSA-N |
| Molecular Weight | 357.535 g/mol |
| SMILES | C(CCC(NC(OCCC)=O)C(=O)OCCCCCCCC)CCC |