| SpectraBase Compound ID | 5FpJJngsGZs |
|---|---|
| InChI | InChI=1S/C22H29FN4O2/c1-14(2)20(21(24)28)25-22(29)19-12-18(16-8-10-17(23)11-9-16)26-27(19)13-15-6-4-3-5-7-15/h8-12,14-15,20H,3-7,13H2,1-2H3,(H2,24,28)(H,25,29) |
| InChIKey | NDYOOVJIZQTGHY-UHFFFAOYSA-N |
| Mol Weight | 400.5 g/mol |
| Molecular Formula | C22H29FN4O2 |
| Exact Mass | 400.227454 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KRlChRt5bZm |
|---|---|
| Name | ab-Chmfuppyca |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.227454351 u |
| Formula | C22H29FN4O2 |
| InChI | InChI=1S/C22H29FN4O2/c1-14(2)20(21(24)28)25-22(29)19-12-18(16-8-10-17(23)11-9-16)26-27(19)13-15-6-4-3-5-7-15/h8-12,14-15,20H,3-7,13H2,1-2H3,(H2,24,28)(H,25,29) |
| InChIKey | NDYOOVJIZQTGHY-UHFFFAOYSA-N |
| Molecular Weight | 400.498 g/mol |
| SMILES | N(C(C=1N(N=C(C1)C=1C=CC(=CC1)F)CC1CCCCC1)=O)C(C(N)=O)C(C)C |