| SpectraBase Compound ID | DSX8iLjxAyH |
|---|---|
| InChI | InChI=1S/C25H49NO3/c1-4-6-8-10-11-12-13-14-15-17-22-29-25(28)21-18-20-24(27)26-23(3)19-16-9-7-5-2/h23H,4-22H2,1-3H3,(H,26,27) |
| InChIKey | MAOSYGNYMHKQEW-UHFFFAOYSA-N |
| Mol Weight | 411.7 g/mol |
| Molecular Formula | C25H49NO3 |
| Exact Mass | 411.371244 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 | B8r9UXtG1Cx |
|---|---|
| Name | Glutaric acid, monoamide, N-(2-octyl)-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.371244439 u |
| Formula | C25H49NO3 |
| InChI | InChI=1S/C25H49NO3/c1-4-6-8-10-11-12-13-14-15-17-22-29-25(28)21-18-20-24(27)26-23(3)19-16-9-7-5-2/h23H,4-22H2,1-3H3,(H,26,27) |
| InChIKey | MAOSYGNYMHKQEW-UHFFFAOYSA-N |
| Molecular Weight | 411.671 g/mol |
| SMILES | CC(NC(CCCC(OCCCCCCCCCCCC)=O)=O)CCCCCC |