| SpectraBase Compound ID | 5pjFmBNOIR5 |
|---|---|
| InChI | InChI=1S/C23H34F3NO2/c1-4-6-7-8-9-13-17-20(14-5-2)29-21(19-15-11-10-12-16-19)18(3)27-22(28)23(24,25)26/h5,10-12,15-16,18,20-21H,2,4,6-9,13-14,17H2,1,3H3,(H,27,28)/t18-,20+,21+/m0/s1 |
| InChIKey | VQAXCLCEDMBWDV-CEWLAPEOSA-N |
| Mol Weight | 413.5 g/mol |
| Molecular Formula | C23H34F3NO2 |
| Exact Mass | 413.254164 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IwryA3sKfYo |
|---|---|
| Name | (4S,1'S,2'S)-4-(2'-Trifluoroacetylamido-1'-phenylpropyloxy)dodec-1-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.254163826 u |
| Formula | C23H34F3NO2 |
| InChI | InChI=1S/C23H34F3NO2/c1-4-6-7-8-9-13-17-20(14-5-2)29-21(19-15-11-10-12-16-19)18(3)27-22(28)23(24,25)26/h5,10-12,15-16,18,20-21H,2,4,6-9,13-14,17H2,1,3H3,(H,27,28)/t18-,20+,21+/m0/s1 |
| InChIKey | VQAXCLCEDMBWDV-CEWLAPEOSA-N |
| Molecular Weight | 413.525 g/mol |
| SMILES | C(C(N[C@]([C@@](O[C@](CC=C)(CCCCCCCC)[H])(C1=CC=CC=C1)[H])(C)[H])=O)(F)(F)F |