| SpectraBase Compound ID | 13V8MpWeOH |
|---|---|
| InChI | InChI=1S/C20H22F3NO4/c1-13(24-19(25)20(21,22)23)9-15-10-17(27-3)18(11-16(15)26-2)28-12-14-7-5-4-6-8-14/h4-8,10-11,13H,9,12H2,1-3H3,(H,24,25) |
| InChIKey | KPYZNNSVUZEUCP-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 | 7K1lQr8cEs4 |
|---|---|
| Name | Mbnm tfa |
| 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/c1-13(24-19(25)20(21,22)23)9-15-10-17(27-3)18(11-16(15)26-2)28-12-14-7-5-4-6-8-14/h4-8,10-11,13H,9,12H2,1-3H3,(H,24,25) |
| InChIKey | KPYZNNSVUZEUCP-UHFFFAOYSA-N |
| Molecular Weight | 397.394 g/mol |
| SMILES | C=1(C(=CC(=C(C1)OC)OCC1=CC=CC=C1)OC)CC(NC(C(F)(F)F)=O)C |