| SpectraBase Compound ID | 5xwFSBLyqfk |
|---|---|
| InChI | InChI=1S/C25H49NO3/c1-4-7-10-12-16-21-26(22-17-13-11-8-5-2)24(27)19-14-15-20-25(28)29-23-18-9-6-3/h4-23H2,1-3H3 |
| InChIKey | MCDHTLCKTDUSDW-UHFFFAOYSA-N |
| Mol Weight | 411.7 g/mol |
| Molecular Formula | C25H49NO3 |
| Exact Mass | 411.371244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6rMA1YWEAW3 |
|---|---|
| Name | Adipic acid, monoamide, N,N-diheptyl-, pentyl 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/c1-4-7-10-12-16-21-26(22-17-13-11-8-5-2)24(27)19-14-15-20-25(28)29-23-18-9-6-3/h4-23H2,1-3H3 |
| InChIKey | MCDHTLCKTDUSDW-UHFFFAOYSA-N |
| Molecular Weight | 411.671 g/mol |
| SMILES | C(N(C(=O)CCCCC(OCCCCC)=O)CCCCCCC)CCCCCC |