| SpectraBase Compound ID | GX8tz9R0aAG |
|---|---|
| InChI | InChI=1S/C20H31NO4/c1-2-3-4-5-6-7-8-15-25-20(23)17-11-13-21(14-12-17)19(22)18-10-9-16-24-18/h9-10,16-17H,2-8,11-15H2,1H3 |
| InChIKey | FLIGZGPHHFSEOK-UHFFFAOYSA-N |
| Mol Weight | 349.47 g/mol |
| Molecular Formula | C20H31NO4 |
| Exact Mass | 349.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRFkfKFul6b |
|---|---|
| Name | Isonipecotic acid, N-(2-furoyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.225308478 u |
| Formula | C20H31NO4 |
| InChI | InChI=1S/C20H31NO4/c1-2-3-4-5-6-7-8-15-25-20(23)17-11-13-21(14-12-17)19(22)18-10-9-16-24-18/h9-10,16-17H,2-8,11-15H2,1H3 |
| InChIKey | FLIGZGPHHFSEOK-UHFFFAOYSA-N |
| Molecular Weight | 349.471 g/mol |
| SMILES | CCCCCCCCCOC(C1CCN(C(=O)C2=CC=CO2)CC1)=O |