| SpectraBase Compound ID | GQzOhqNj5 |
|---|---|
| InChI | InChI=1S/C24H45NO3/c1-3-5-7-9-10-11-13-15-21-28-24(27)22-17-19-25(20-18-22)23(26)16-14-12-8-6-4-2/h22H,3-21H2,1-2H3 |
| InChIKey | SSTLMYJUZNEALN-UHFFFAOYSA-N |
| Mol Weight | 395.6 g/mol |
| Molecular Formula | C24H45NO3 |
| Exact Mass | 395.339944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1PuPROiK0nT |
|---|---|
| Name | Isonipecotic acid, N-(octanoyl)-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 395.339944310 u |
| Formula | C24H45NO3 |
| InChI | InChI=1S/C24H45NO3/c1-3-5-7-9-10-11-13-15-21-28-24(27)22-17-19-25(20-18-22)23(26)16-14-12-8-6-4-2/h22H,3-21H2,1-2H3 |
| InChIKey | SSTLMYJUZNEALN-UHFFFAOYSA-N |
| Molecular Weight | 395.628 g/mol |
| SMILES | CCCCCCCCCCOC(C1CCN(C(=O)CCCCCCC)CC1)=O |