| SpectraBase Compound ID | dcH70EdqtT |
|---|---|
| InChI | InChI=1S/C24H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-29-23(26)22-17-19-25(20-18-22)24(27)28-4-2/h22H,3-21H2,1-2H3 |
| InChIKey | QQQXXISCGQWYSY-UHFFFAOYSA-N |
| Mol Weight | 411.6 g/mol |
| Molecular Formula | C24H45NO4 |
| Exact Mass | 411.334859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7ki43HXtp1S |
|---|---|
| Name | Isonipecotic acid, N-ethohycarbonyl-, pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.334858929 u |
| Formula | C24H45NO4 |
| InChI | InChI=1S/C24H45NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-29-23(26)22-17-19-25(20-18-22)24(27)28-4-2/h22H,3-21H2,1-2H3 |
| InChIKey | QQQXXISCGQWYSY-UHFFFAOYSA-N |
| Molecular Weight | 411.627 g/mol |
| SMILES | C1N(CCC(C1)C(OCCCCCCCCCCCCCCC)=O)C(OCC)=O |