| SpectraBase Compound ID | 7xJHPIGaHOO |
|---|---|
| InChI | InChI=1S/C21H24F3NO2/c1-4-16-9-11-17(12-10-16)13-15(2)25(20(26)21(22,23)24)14-18-7-5-6-8-19(18)27-3/h5-12,15H,4,13-14H2,1-3H3 |
| InChIKey | WPOFISPQMWMDAN-UHFFFAOYSA-N |
| Mol Weight | 379.42 g/mol |
| Molecular Formula | C21H24F3NO2 |
| Exact Mass | 379.175914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CChgP3SiMKm |
|---|---|
| Name | 4-ea-Nbome tfa P1352 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 379.175913504 u |
| Formula | C21H24F3NO2 |
| InChI | InChI=1S/C21H24F3NO2/c1-4-16-9-11-17(12-10-16)13-15(2)25(20(26)21(22,23)24)14-18-7-5-6-8-19(18)27-3/h5-12,15H,4,13-14H2,1-3H3 |
| InChIKey | WPOFISPQMWMDAN-UHFFFAOYSA-N |
| Molecular Weight | 379.423 g/mol |
| SMILES | C1(=C(OC)C=CC=C1)CN(C(CC1=CC=C(C=C1)CC)C)C(=O)C(F)(F)F |