| SpectraBase Compound ID | 4TVEHzzRC5k |
|---|---|
| InChI | InChI=1S/C18H20FN3O/c19-15-6-8-16(9-7-15)20-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23) |
| InChIKey | DDKGUFSNWAOROB-UHFFFAOYSA-N |
| Mol Weight | 313.38 g/mol |
| Molecular Formula | C18H20FN3O |
| Exact Mass | 313.15904 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2zcYneoNIAo |
|---|---|
| Name | N-(4-Fluoro-phenyl)-2-(4-phenyl-piperazin-1-yl)-acetamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.159040438 u |
| Formula | C18H20FN3O |
| InChI | InChI=1S/C18H20FN3O/c19-15-6-8-16(9-7-15)20-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23) |
| InChIKey | DDKGUFSNWAOROB-UHFFFAOYSA-N |
| Molecular Weight | 313.376 g/mol |
| SMILES | C1=CC=C(N2CCN(CC(NC3=CC=C(C=C3)F)=O)CC2)C=C1 |