| SpectraBase Compound ID | GeItsYojG9q |
|---|---|
| InChI | InChI=1S/C16H23NO4/c1-2-3-4-11-21-16(19)13-7-9-17(10-8-13)15(18)14-6-5-12-20-14/h5-6,12-13H,2-4,7-11H2,1H3 |
| InChIKey | NLHYMYYAKCKPGW-UHFFFAOYSA-N |
| Mol Weight | 293.36 g/mol |
| Molecular Formula | C16H23NO4 |
| Exact Mass | 293.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCYFWWi16us |
|---|---|
| Name | Isonipecotic acid, N-(2-furoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.162708221 u |
| Formula | C16H23NO4 |
| InChI | InChI=1S/C16H23NO4/c1-2-3-4-11-21-16(19)13-7-9-17(10-8-13)15(18)14-6-5-12-20-14/h5-6,12-13H,2-4,7-11H2,1H3 |
| InChIKey | NLHYMYYAKCKPGW-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C(N2CCC(C(OCCCCC)=O)CC2)=O)O1 |