| SpectraBase Compound ID | gkiX88wOaS |
|---|---|
| InChI | InChI=1S/C26H51NO3/c1-4-7-10-13-17-22-27(23-18-14-11-8-5-2)25(28)20-15-16-21-26(29)30-24-19-12-9-6-3/h4-24H2,1-3H3 |
| InChIKey | JZGATHCMQYQVTF-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 | GiprlrEqw73 |
|---|---|
| Name | Adipic acid, monoamide, N,N-diheptyl-, hexyl 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/c1-4-7-10-13-17-22-27(23-18-14-11-8-5-2)25(28)20-15-16-21-26(29)30-24-19-12-9-6-3/h4-24H2,1-3H3 |
| InChIKey | JZGATHCMQYQVTF-UHFFFAOYSA-N |
| Molecular Weight | 425.698 g/mol |
| SMILES | C(CCCN(C(=O)CCCCC(OCCCCCC)=O)CCCCCCC)CCC |