| SpectraBase Compound ID | LiCfPnxjth6 |
|---|---|
| InChI | InChI=1S/C17H22FNO3/c1-12(2)11-22-17(21)14-7-9-19(10-8-14)16(20)13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3 |
| InChIKey | ONLHKDRPONEEJU-UHFFFAOYSA-N |
| Mol Weight | 307.37 g/mol |
| Molecular Formula | C17H22FNO3 |
| Exact Mass | 307.158372 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 7hcUxv8tkdK |
|---|---|
| Name | Isonipecotic acid, N-(4-fluorobenzoyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.158371732 u |
| Formula | C17H22FNO3 |
| InChI | InChI=1S/C17H22FNO3/c1-12(2)11-22-17(21)14-7-9-19(10-8-14)16(20)13-3-5-15(18)6-4-13/h3-6,12,14H,7-11H2,1-2H3 |
| InChIKey | ONLHKDRPONEEJU-UHFFFAOYSA-N |
| Molecular Weight | 307.365 g/mol |
| SMILES | CC(C)COC(C1CCN(C(=O)C2=CC=C(C=C2)F)CC1)=O |