| SpectraBase Compound ID | HPnwHh9XgpW |
|---|---|
| InChI | InChI=1S/C27H51NO3/c1-3-5-7-9-10-11-12-13-14-16-18-24-31-27(30)25-20-22-28(23-21-25)26(29)19-17-15-8-6-4-2/h25H,3-24H2,1-2H3 |
| InChIKey | KFEQDDJOYTZJJV-UHFFFAOYSA-N |
| Mol Weight | 437.7 g/mol |
| Molecular Formula | C27H51NO3 |
| Exact Mass | 437.386895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L1gmycp9NO7 |
|---|---|
| Name | Isonipecotic acid, N-(octanoyl)-, tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 437.386894503 u |
| Formula | C27H51NO3 |
| InChI | InChI=1S/C27H51NO3/c1-3-5-7-9-10-11-12-13-14-16-18-24-31-27(30)25-20-22-28(23-21-25)26(29)19-17-15-8-6-4-2/h25H,3-24H2,1-2H3 |
| InChIKey | KFEQDDJOYTZJJV-UHFFFAOYSA-N |
| Molecular Weight | 437.709 g/mol |
| SMILES | C(CCCCCC(N1CCC(C(OCCCCCCCCCCCCC)=O)CC1)=O)C |