| SpectraBase Compound ID | 8MO8JvGzyJI |
|---|---|
| InChI | InChI=1S/C18H27NO4/c1-2-3-4-5-6-13-23-18(21)15-9-11-19(12-10-15)17(20)16-8-7-14-22-16/h7-8,14-15H,2-6,9-13H2,1H3 |
| InChIKey | QPUSYULQXBSYEJ-UHFFFAOYSA-N |
| Mol Weight | 321.42 g/mol |
| Molecular Formula | C18H27NO4 |
| Exact Mass | 321.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6V8daGnaySo |
|---|---|
| Name | Isonipecotic acid, N-(2-furoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.194008349 u |
| Formula | C18H27NO4 |
| InChI | InChI=1S/C18H27NO4/c1-2-3-4-5-6-13-23-18(21)15-9-11-19(12-10-15)17(20)16-8-7-14-22-16/h7-8,14-15H,2-6,9-13H2,1H3 |
| InChIKey | QPUSYULQXBSYEJ-UHFFFAOYSA-N |
| Molecular Weight | 321.417 g/mol |
| SMILES | CCCCCCCOC(C1CCN(C(=O)C2=CC=CO2)CC1)=O |