| SpectraBase Compound ID | h9533CuI7l |
|---|---|
| InChI | InChI=1S/C21H26FNO3/c1-5-10-26-21-19(24-3)12-16(13-20(21)25-4)11-15(2)23-14-17-8-6-7-9-18(17)22/h5-9,12-13,15,23H,1,10-11,14H2,2-4H3 |
| InChIKey | QGQOTZKTFRFKKM-UHFFFAOYSA-N |
| Mol Weight | 359.44 g/mol |
| Molecular Formula | C21H26FNO3 |
| Exact Mass | 359.189672 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6JgLEFBAZuk |
|---|---|
| Name | 3C-al N-(2-Fluorobenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.189671861 u |
| Formula | C21H26FNO3 |
| InChI | InChI=1S/C21H26FNO3/c1-5-10-26-21-19(24-3)12-16(13-20(21)25-4)11-15(2)23-14-17-8-6-7-9-18(17)22/h5-9,12-13,15,23H,1,10-11,14H2,2-4H3 |
| InChIKey | QGQOTZKTFRFKKM-UHFFFAOYSA-N |
| Molecular Weight | 359.441 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC(NCC=1C(=CC=CC1)F)C)OC)OCC=C |