| SpectraBase Compound ID | FqWYOEja4QK |
|---|---|
| InChI | InChI=1S/C24H47NO3/c1-4-7-10-12-16-20-25(21-17-13-11-8-5-2)23(26)18-14-15-19-24(27)28-22-9-6-3/h4-22H2,1-3H3 |
| InChIKey | WJDTWFFVSDPMLT-UHFFFAOYSA-N |
| Mol Weight | 397.6 g/mol |
| Molecular Formula | C24H47NO3 |
| Exact Mass | 397.355594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8i1yVNSwpHj |
|---|---|
| Name | Adipic acid, monoamide, N,N-diheptyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.355594374 u |
| Formula | C24H47NO3 |
| InChI | InChI=1S/C24H47NO3/c1-4-7-10-12-16-20-25(21-17-13-11-8-5-2)23(26)18-14-15-19-24(27)28-22-9-6-3/h4-22H2,1-3H3 |
| InChIKey | WJDTWFFVSDPMLT-UHFFFAOYSA-N |
| Molecular Weight | 397.644 g/mol |
| SMILES | C(CCN(C(=O)CCCCC(OCCCC)=O)CCCCCCC)CCCC |