| SpectraBase Compound ID | LMXHpm1pqJw |
|---|---|
| InChI | InChI=1S/C22H43NO3/c1-5-7-9-13-17-23(18-14-10-8-6-2)21(24)15-11-12-16-22(25)26-19-20(3)4/h20H,5-19H2,1-4H3 |
| InChIKey | JSTXQIAXXGSPFB-UHFFFAOYSA-N |
| Mol Weight | 369.6 g/mol |
| Molecular Formula | C22H43NO3 |
| Exact Mass | 369.324294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BUFzKK290Qt |
|---|---|
| Name | Adipic acid, monoamide, N,N-dihexyl-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.324294246 u |
| Formula | C22H43NO3 |
| InChI | InChI=1S/C22H43NO3/c1-5-7-9-13-17-23(18-14-10-8-6-2)21(24)15-11-12-16-22(25)26-19-20(3)4/h20H,5-19H2,1-4H3 |
| InChIKey | JSTXQIAXXGSPFB-UHFFFAOYSA-N |
| Molecular Weight | 369.590 g/mol |
| SMILES | C(CC(=O)N(CCCCCC)CCCCCC)CCC(OCC(C)C)=O |