| SpectraBase Compound ID | 4J3pGIt2ETU |
|---|---|
| InChI | InChI=1S/C20H22F3NO4/c1-5-27-18(25)15-11(3)24-12(4)16(19(26)28-6-2)17(15)13-9-7-8-10-14(13)20(21,22)23/h7-10,17,24H,5-6H2,1-4H3 |
| InChIKey | ACZJZGLXRPZSLI-UHFFFAOYSA-N |
| Mol Weight | 397.39 g/mol |
| Molecular Formula | C20H22F3NO4 |
| Exact Mass | 397.150093 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4fbSGy3uYad |
|---|---|
| Name | Ftorin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.150092677 u |
| Formula | C20H22F3NO4 |
| InChI | InChI=1S/C20H22F3NO4/c1-5-27-18(25)15-11(3)24-12(4)16(19(26)28-6-2)17(15)13-9-7-8-10-14(13)20(21,22)23/h7-10,17,24H,5-6H2,1-4H3 |
| InChIKey | ACZJZGLXRPZSLI-UHFFFAOYSA-N |
| Molecular Weight | 397.394 g/mol |
| SMILES | C(F)(C1=C(C=CC=C1)C1C(=C(NC(=C1C(=O)OCC)C)C)C(=O)OCC)(F)F |