| SpectraBase Compound ID | 8cUiASBKv2f |
|---|---|
| InChI | InChI=1S/C26H32F3NO2/c1-4-6-13-19-25(3,18-5-2)32-23(21-16-11-8-12-17-21)22(20-14-9-7-10-15-20)30-24(31)26(27,28)29/h5,7-12,14-17,22-23H,2,4,6,13,18-19H2,1,3H3,(H,30,31) |
| InChIKey | KFGCPGDGUMIBLM-UHFFFAOYSA-N |
| Mol Weight | 447.5 g/mol |
| Molecular Formula | C26H32F3NO2 |
| Exact Mass | 447.238514 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LKy0EnP5s02 |
|---|---|
| Name | 4-(1', 2'-Diphenyl-2'-trifluoroacetamido-1'-ethoxy)-4-methyl-1-nonene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 447.238513761 u |
| Formula | C26H32F3NO2 |
| InChI | InChI=1S/C26H32F3NO2/c1-4-6-13-19-25(3,18-5-2)32-23(21-16-11-8-12-17-21)22(20-14-9-7-10-15-20)30-24(31)26(27,28)29/h5,7-12,14-17,22-23H,2,4,6,13,18-19H2,1,3H3,(H,30,31) |
| InChIKey | KFGCPGDGUMIBLM-UHFFFAOYSA-N |
| Molecular Weight | 447.542 g/mol |
| SMILES | C(NC(C(OC(CC=C)(CCCCC)C)C=1C=CC=CC1)C1=CC=CC=C1)(C(F)(F)F)=O |