| SpectraBase Compound ID | 7Q0htea04An |
|---|---|
| InChI | InChI=1S/C26H51NO3/c1-4-7-10-13-14-19-24-30-26(29)21-16-15-20-25(28)27(22-17-11-8-5-2)23-18-12-9-6-3/h4-24H2,1-3H3 |
| InChIKey | KLMCUTRZTKKODH-UHFFFAOYSA-N |
| Mol Weight | 425.7 g/mol |
| Molecular Formula | C26H51NO3 |
| Exact Mass | 425.386895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kq0cduqSDte |
|---|---|
| Name | Adipic acid, monoamide, N,N-dihexyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.386894503 u |
| Formula | C26H51NO3 |
| InChI | InChI=1S/C26H51NO3/c1-4-7-10-13-14-19-24-30-26(29)21-16-15-20-25(28)27(22-17-11-8-5-2)23-18-12-9-6-3/h4-24H2,1-3H3 |
| InChIKey | KLMCUTRZTKKODH-UHFFFAOYSA-N |
| Molecular Weight | 425.698 g/mol |
| SMILES | CCCCCCCCOC(CCCCC(=O)N(CCCCCC)CCCCCC)=O |