| SpectraBase Compound ID | AN2pr23SNlj |
|---|---|
| InChI | InChI=1S/C16H20FNO3/c1-2-11-21-16(20)13-7-9-18(10-8-13)15(19)12-3-5-14(17)6-4-12/h3-6,13H,2,7-11H2,1H3 |
| InChIKey | CYUPQDFRQMYIQS-UHFFFAOYSA-N |
| Mol Weight | 293.34 g/mol |
| Molecular Formula | C16H20FNO3 |
| Exact Mass | 293.142722 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 | 5sHGY1DuhvQ |
|---|---|
| Name | Isonipecotic acid, N-(4-fluorobenzoyl)-, propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 293.142721668 u |
| Formula | C16H20FNO3 |
| InChI | InChI=1S/C16H20FNO3/c1-2-11-21-16(20)13-7-9-18(10-8-13)15(19)12-3-5-14(17)6-4-12/h3-6,13H,2,7-11H2,1H3 |
| InChIKey | CYUPQDFRQMYIQS-UHFFFAOYSA-N |
| Molecular Weight | 293.338 g/mol |
| SMILES | C1(=CC=C(C(N2CCC(C(OCCC)=O)CC2)=O)C=C1)F |