| SpectraBase Compound ID | IVyRfolCeAt |
|---|---|
| InChI | InChI=1S/C23H43NO3/c1-3-5-7-9-10-12-14-20-27-23(26)21-16-18-24(19-17-21)22(25)15-13-11-8-6-4-2/h21H,3-20H2,1-2H3 |
| InChIKey | ADIGNYDSVNDYDS-UHFFFAOYSA-N |
| Mol Weight | 381.6 g/mol |
| Molecular Formula | C23H43NO3 |
| Exact Mass | 381.324294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4mNaksE5AFP |
|---|---|
| Name | Isonipecotic acid, N-(octanoyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.324294246 u |
| Formula | C23H43NO3 |
| InChI | InChI=1S/C23H43NO3/c1-3-5-7-9-10-12-14-20-27-23(26)21-16-18-24(19-17-21)22(25)15-13-11-8-6-4-2/h21H,3-20H2,1-2H3 |
| InChIKey | ADIGNYDSVNDYDS-UHFFFAOYSA-N |
| Molecular Weight | 381.601 g/mol |
| SMILES | C(CCCC(N1CCC(C(OCCCCCCCCC)=O)CC1)=O)CCC |