| SpectraBase Compound ID | AzHOcPknNJs |
|---|---|
| InChI | InChI=1S/C20H25ClFNO3/c1-14(23-13-16-6-4-5-7-17(16)21)10-15-11-18(24-2)20(26-9-8-22)19(12-15)25-3/h4-7,11-12,14,23H,8-10,13H2,1-3H3 |
| InChIKey | INLZBKLVFQLANG-UHFFFAOYSA-N |
| Mol Weight | 381.88 g/mol |
| Molecular Formula | C20H25ClFNO3 |
| Exact Mass | 381.1507 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ONc2pPK37V |
|---|---|
| Name | 3C-fe N-(2-Chlorobenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.150699529 u |
| Formula | C20H25ClFNO3 |
| InChI | InChI=1S/C20H25ClFNO3/c1-14(23-13-16-6-4-5-7-17(16)21)10-15-11-18(24-2)20(26-9-8-22)19(12-15)25-3/h4-7,11-12,14,23H,8-10,13H2,1-3H3 |
| InChIKey | INLZBKLVFQLANG-UHFFFAOYSA-N |
| Molecular Weight | 381.875 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC(NCC=1C(=CC=CC1)Cl)C)OC)OCCF |