| SpectraBase Compound ID | 88wtRJtCDAJ |
|---|---|
| InChI | InChI=1S/C20H25BrFNO3/c1-14(23-13-15-4-6-17(21)7-5-15)10-16-11-18(24-2)20(26-9-8-22)19(12-16)25-3/h4-7,11-12,14,23H,8-10,13H2,1-3H3 |
| InChIKey | BDSBDIIYWXWFFL-UHFFFAOYSA-N |
| Mol Weight | 426.33 g/mol |
| Molecular Formula | C20H25BrFNO3 |
| Exact Mass | 425.100185 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 935iSWOuvjJ |
|---|---|
| Name | 3C-fe N-(4-Bromobenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 425.100184829 u |
| Formula | C20H25BrFNO3 |
| InChI | InChI=1S/C20H25BrFNO3/c1-14(23-13-15-4-6-17(21)7-5-15)10-16-11-18(24-2)20(26-9-8-22)19(12-16)25-3/h4-7,11-12,14,23H,8-10,13H2,1-3H3 |
| InChIKey | BDSBDIIYWXWFFL-UHFFFAOYSA-N |
| Molecular Weight | 426.326 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC(NCC=1C=CC(=CC1)Br)C)OC)OCCF |