| SpectraBase Compound ID | HLQgJoEUL5A |
|---|---|
| InChI | InChI=1S/C21H24F3NO4/c1-6-28-19(26)16-12(3)25(5)13(4)17(20(27)29-7-2)18(16)14-10-8-9-11-15(14)21(22,23)24/h8-11,18H,6-7H2,1-5H3 |
| InChIKey | UGVYVSWXHUNWQH-UHFFFAOYSA-N |
| Mol Weight | 411.42 g/mol |
| Molecular Formula | C21H24F3NO4 |
| Exact Mass | 411.165743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ZXAJkl81PN |
|---|---|
| Name | Ftorin, N-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.165742742 u |
| Formula | C21H24F3NO4 |
| InChI | InChI=1S/C21H24F3NO4/c1-6-28-19(26)16-12(3)25(5)13(4)17(20(27)29-7-2)18(16)14-10-8-9-11-15(14)21(22,23)24/h8-11,18H,6-7H2,1-5H3 |
| InChIKey | UGVYVSWXHUNWQH-UHFFFAOYSA-N |
| Molecular Weight | 411.421 g/mol |
| SMILES | C(F)(C1=C(C=CC=C1)C1C(=C(N(C(=C1C(=O)OCC)C)C)C)C(=O)OCC)(F)F |