| SpectraBase Compound ID | 8o76uJwQtiZ |
|---|---|
| InChI | InChI=1S/C20H28FNO3/c1-2-3-4-5-6-15-25-20(24)17-11-13-22(14-12-17)19(23)16-7-9-18(21)10-8-16/h7-10,17H,2-6,11-15H2,1H3 |
| InChIKey | DVTOQNAZQCIUOM-UHFFFAOYSA-N |
| Mol Weight | 349.45 g/mol |
| Molecular Formula | C20H28FNO3 |
| Exact Mass | 349.205322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3UWZD1Ew41w |
|---|---|
| Name | Isonipecotic acid, N-(4-fluorobenzoyl)-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.205321926 u |
| Formula | C20H28FNO3 |
| InChI | InChI=1S/C20H28FNO3/c1-2-3-4-5-6-15-25-20(24)17-11-13-22(14-12-17)19(23)16-7-9-18(21)10-8-16/h7-10,17H,2-6,11-15H2,1H3 |
| InChIKey | DVTOQNAZQCIUOM-UHFFFAOYSA-N |
| Molecular Weight | 349.446 g/mol |
| SMILES | CCCCCCCOC(C1CCN(C(=O)C2=CC=C(C=C2)F)CC1)=O |