| SpectraBase Compound ID | 5I5oJ7wBfuS |
|---|---|
| InChI | InChI=1S/C20H26F5NO4/c1-3-4-5-6-7-8-9-17(27)26-13-14-10-11-15(16(12-14)29-2)30-18(28)19(21,22)20(23,24)25/h10-12H,3-9,13H2,1-2H3,(H,26,27) |
| InChIKey | AFYJTRQYGHORMP-UHFFFAOYSA-N |
| Mol Weight | 439.42 g/mol |
| Molecular Formula | C20H26F5NO4 |
| Exact Mass | 439.178199 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FTcWYnYHvX1 |
|---|---|
| Name | Nonivamide P1556 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 439.178199132 u |
| Formula | C20H26F5NO4 |
| InChI | InChI=1S/C20H26F5NO4/c1-3-4-5-6-7-8-9-17(27)26-13-14-10-11-15(16(12-14)29-2)30-18(28)19(21,22)20(23,24)25/h10-12H,3-9,13H2,1-2H3,(H,26,27) |
| InChIKey | AFYJTRQYGHORMP-UHFFFAOYSA-N |
| Molecular Weight | 439.423 g/mol |
| SMILES | C(C(OC=1C(=CC(=CC1)CNC(=O)CCCCCCCC)OC)=O)(C(F)(F)F)(F)F |