| SpectraBase Compound ID | IrKbJqiie69 |
|---|---|
| InChI | InChI=1S/C16H20F3NO4/c1-5-6-24-14-12(22-3)8-11(9-13(14)23-4)7-10(2)20-15(21)16(17,18)19/h5,8-10H,1,6-7H2,2-4H3,(H,20,21) |
| InChIKey | BPFKPOIFTILKEP-UHFFFAOYSA-N |
| Mol Weight | 347.33 g/mol |
| Molecular Formula | C16H20F3NO4 |
| Exact Mass | 347.134443 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 41c3fDaWWvW |
|---|---|
| Name | 3C-al tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.134442613 u |
| Formula | C16H20F3NO4 |
| InChI | InChI=1S/C16H20F3NO4/c1-5-6-24-14-12(22-3)8-11(9-13(14)23-4)7-10(2)20-15(21)16(17,18)19/h5,8-10H,1,6-7H2,2-4H3,(H,20,21) |
| InChIKey | BPFKPOIFTILKEP-UHFFFAOYSA-N |
| Molecular Weight | 347.334 g/mol |
| SMILES | C1(=CC(=C(C(=C1)OC)OCC=C)OC)CC(NC(C(F)(F)F)=O)C |