| SpectraBase Compound ID | GSwMWmkHRtT |
|---|---|
| InChI | InChI=1S/C26H49NO3/c1-3-5-7-9-10-11-12-13-15-17-23-30-26(29)24-19-21-27(22-20-24)25(28)18-16-14-8-6-4-2/h24H,3-23H2,1-2H3 |
| InChIKey | BRDSVAUNJDZTAL-UHFFFAOYSA-N |
| Mol Weight | 423.7 g/mol |
| Molecular Formula | C26H49NO3 |
| Exact Mass | 423.371244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LShPDM3c6Lj |
|---|---|
| Name | Isonipecotic acid, N-(octanoyl)-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 423.371244439 u |
| Formula | C26H49NO3 |
| InChI | InChI=1S/C26H49NO3/c1-3-5-7-9-10-11-12-13-15-17-23-30-26(29)24-19-21-27(22-20-24)25(28)18-16-14-8-6-4-2/h24H,3-23H2,1-2H3 |
| InChIKey | BRDSVAUNJDZTAL-UHFFFAOYSA-N |
| Molecular Weight | 423.682 g/mol |
| SMILES | C(CCCCCC(N1CCC(C(OCCCCCCCCCCCC)=O)CC1)=O)C |