| SpectraBase Compound ID | ufy89X6oCV |
|---|---|
| InChI | InChI=1S/C14H14F4N2O/c1-7(19-13(21)14(16,17)18)5-10-8(2)20-12-4-3-9(15)6-11(10)12/h3-4,6-7,20H,5H2,1-2H3,(H,19,21) |
| InChIKey | WDEOMJYLFSQWKX-UHFFFAOYSA-N |
| Mol Weight | 302.27 g/mol |
| Molecular Formula | C14H14F4N2O |
| Exact Mass | 302.104226 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A5PtxtYfCdM |
|---|---|
| Name | 5-Fluoro-2-me-amt tfa P918 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.104225730 u |
| Formula | C14H14F4N2O |
| InChI | InChI=1S/C14H14F4N2O/c1-7(19-13(21)14(16,17)18)5-10-8(2)20-12-4-3-9(15)6-11(10)12/h3-4,6-7,20H,5H2,1-2H3,(H,19,21) |
| InChIKey | WDEOMJYLFSQWKX-UHFFFAOYSA-N |
| Molecular Weight | 302.273 g/mol |
| SMILES | C1(=CC=C2NC(=C(C2=C1)CC(C)NC(=O)C(F)(F)F)C)F |