| SpectraBase Compound ID | 11RYnewYvDE |
|---|---|
| InChI | InChI=1S/C22H31FN2O3/c1-5-28-21(27)19(22(2,3)4)24-20(26)17-15-25(14-10-6-9-13-23)18-12-8-7-11-16(17)18/h7-8,11-12,15,19H,5-6,9-10,13-14H2,1-4H3,(H,24,26) |
| InChIKey | RNWBJOCYFGGMRJ-UHFFFAOYSA-N |
| Mol Weight | 390.5 g/mol |
| Molecular Formula | C22H31FN2O3 |
| Exact Mass | 390.231871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dv7WvRE5Qvi |
|---|---|
| Name | 5F-Edmb-pica |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.231871026 u |
| Formula | C22H31FN2O3 |
| InChI | InChI=1S/C22H31FN2O3/c1-5-28-21(27)19(22(2,3)4)24-20(26)17-15-25(14-10-6-9-13-23)18-12-8-7-11-16(17)18/h7-8,11-12,15,19H,5-6,9-10,13-14H2,1-4H3,(H,24,26) |
| InChIKey | RNWBJOCYFGGMRJ-UHFFFAOYSA-N |
| Molecular Weight | 390.499 g/mol |
| SMILES | C(NC(C=1C=2C(N(C1)CCCCCF)=CC=CC2)=O)(C(C)(C)C)C(OCC)=O |