| SpectraBase Compound ID | BR7htp7Qt0B |
|---|---|
| InChI | InChI=1S/C20H39NO5/c1-4-6-8-10-11-13-15-25-19(22)18(14-12-9-7-5-2)21-20(23)26-17-16-24-3/h18H,4-17H2,1-3H3,(H,21,23) |
| InChIKey | FOGBUEMPJSSVRU-UHFFFAOYSA-N |
| Mol Weight | 373.5 g/mol |
| Molecular Formula | C20H39NO5 |
| Exact Mass | 373.282823 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4L10cdDUlpJ |
|---|---|
| Name | 2-Aminocaprylic acid, N-(2-methoxyethylcarbonyl)-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 373.282823355 u |
| Formula | C20H39NO5 |
| InChI | InChI=1S/C20H39NO5/c1-4-6-8-10-11-13-15-25-19(22)18(14-12-9-7-5-2)21-20(23)26-17-16-24-3/h18H,4-17H2,1-3H3,(H,21,23) |
| InChIKey | FOGBUEMPJSSVRU-UHFFFAOYSA-N |
| Molecular Weight | 373.534 g/mol |
| SMILES | COCCOC(NC(C(OCCCCCCCC)=O)CCCCCC)=O |