| SpectraBase Compound ID | 2mlZXzAfCz6 |
|---|---|
| InChI | InChI=1S/C18H19F3N2O2/c1-3-9-23(10-4-2)11-8-13-12-22-14-6-5-7-15(16(13)14)25-17(24)18(19,20)21/h3-7,12,22H,1-2,8-11H2 |
| InChIKey | DOFRAXIAUKFMFF-UHFFFAOYSA-N |
| Mol Weight | 352.36 g/mol |
| Molecular Formula | C18H19F3N2O2 |
| Exact Mass | 352.139862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5JfTRo3NAUM |
|---|---|
| Name | 4-ho-Dalt isomer-2 tfa P1220 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.139862347 u |
| Formula | C18H19F3N2O2 |
| InChI | InChI=1S/C18H19F3N2O2/c1-3-9-23(10-4-2)11-8-13-12-22-14-6-5-7-15(16(13)14)25-17(24)18(19,20)21/h3-7,12,22H,1-2,8-11H2 |
| InChIKey | DOFRAXIAUKFMFF-UHFFFAOYSA-N |
| Molecular Weight | 352.357 g/mol |
| SMILES | C1=CC=C2NC=C(C2=C1OC(=O)C(F)(F)F)CCN(CC=C)CC=C |