| SpectraBase Compound ID | Br3PKlzSuIP |
|---|---|
| InChI | InChI=1S/C24H47NO3/c1-5-7-9-13-19-25(20-14-10-8-6-2)23(26)17-11-12-18-24(27)28-21-15-16-22(3)4/h22H,5-21H2,1-4H3 |
| InChIKey | TUJRWMCZUCQMNW-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 | 1mMFCdjhAZ |
|---|---|
| Name | Adipic acid, monoamide, N,N-dihexyl-, isohexyl 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/c1-5-7-9-13-19-25(20-14-10-8-6-2)23(26)17-11-12-18-24(27)28-21-15-16-22(3)4/h22H,5-21H2,1-4H3 |
| InChIKey | TUJRWMCZUCQMNW-UHFFFAOYSA-N |
| Molecular Weight | 397.644 g/mol |
| SMILES | C(=O)(CCCCC(OCCCC(C)C)=O)N(CCCCCC)CCCCCC |