| SpectraBase Compound ID | Bowsk97cCk |
|---|---|
| InChI | InChI=1S/C23H28F3NO4/c1-5-8-16-13-21(31-4)17(14-20(16)30-3)11-12-27(22(28)23(24,25)26)15-18-9-6-7-10-19(18)29-2/h6-7,9-10,13-14H,5,8,11-12,15H2,1-4H3 |
| InChIKey | HQXZCMVADJRBBG-UHFFFAOYSA-N |
| Mol Weight | 439.48 g/mol |
| Molecular Formula | C23H28F3NO4 |
| Exact Mass | 439.197043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H7jl8i9Yw5b |
|---|---|
| Name | 2C-p-Nbome-tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 439.197042871 u |
| Formula | C23H28F3NO4 |
| InChI | InChI=1S/C23H28F3NO4/c1-5-8-16-13-21(31-4)17(14-20(16)30-3)11-12-27(22(28)23(24,25)26)15-18-9-6-7-10-19(18)29-2/h6-7,9-10,13-14H,5,8,11-12,15H2,1-4H3 |
| InChIKey | HQXZCMVADJRBBG-UHFFFAOYSA-N |
| Molecular Weight | 439.475 g/mol |
| SMILES | C(F)(F)(F)C(N(CCC=1C(=CC(=C(C1)OC)CCC)OC)CC=1C=CC=CC1OC)=O |