| SpectraBase Compound ID | GG0LcGFvFNr |
|---|---|
| InChI | InChI=1S/C21H26F7NO4/c1-3-4-5-6-7-8-9-17(30)29-13-14-10-11-15(16(12-14)32-2)33-18(31)19(22,23)20(24,25)21(26,27)28/h10-12H,3-9,13H2,1-2H3,(H,29,30) |
| InChIKey | SFJYDIKOHDYWAW-UHFFFAOYSA-N |
| Mol Weight | 489.43 g/mol |
| Molecular Formula | C21H26F7NO4 |
| Exact Mass | 489.175005 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ILF2Hc3kZON |
|---|---|
| Name | Nonivamide hfb P1648 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 489.175005458 u |
| Formula | C21H26F7NO4 |
| InChI | InChI=1S/C21H26F7NO4/c1-3-4-5-6-7-8-9-17(30)29-13-14-10-11-15(16(12-14)32-2)33-18(31)19(22,23)20(24,25)21(26,27)28/h10-12H,3-9,13H2,1-2H3,(H,29,30) |
| InChIKey | SFJYDIKOHDYWAW-UHFFFAOYSA-N |
| Molecular Weight | 489.431 g/mol |
| SMILES | C(C(C(OC=1C(=CC(=CC1)CNC(=O)CCCCCCCC)OC)=O)(F)F)(C(F)(F)F)(F)F |