| SpectraBase Compound ID | 99REExDOeop |
|---|---|
| InChI | InChI=1S/C22H43NO4/c1-4-6-8-10-11-12-13-14-15-17-19-27-21(24)20(23-22(25)26-3)18-16-9-7-5-2/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey | PAIXRDMHWIPFHE-UHFFFAOYSA-N |
| Mol Weight | 385.6 g/mol |
| Molecular Formula | C22H43NO4 |
| Exact Mass | 385.319209 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 | KSirjDtThVz |
|---|---|
| Name | 2-Aminocaprylic acid, N-methoxycarbonyl-, dodecyl 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/c1-4-6-8-10-11-12-13-14-15-17-19-27-21(24)20(23-22(25)26-3)18-16-9-7-5-2/h20H,4-19H2,1-3H3,(H,23,25) |
| InChIKey | PAIXRDMHWIPFHE-UHFFFAOYSA-N |
| Molecular Weight | 385.589 g/mol |
| SMILES | CCCCCCC(NC(OC)=O)C(=O)OCCCCCCCCCCCC |