| SpectraBase Compound ID | HpuCwbRY8nd |
|---|---|
| InChI | InChI=1S/C22H29FN4O2/c1-14(2)20(21(24)28)25-22(29)18-12-19(16-8-10-17(23)11-9-16)27(26-18)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 | XMZXGVYPIIOHAQ-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 | ECHZASf9gC3 |
|---|---|
| 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)18-12-19(16-8-10-17(23)11-9-16)27(26-18)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 | XMZXGVYPIIOHAQ-UHFFFAOYSA-N |
| Molecular Weight | 400.498 g/mol |
| SMILES | C1(=CC=C(C=C1)C=1N(N=C(C1)C(N[C@](C(N)=O)(C(C)C)[H])=O)CC1CCCCC1)F |