| SpectraBase Compound ID | 6ax3RG5IRKA |
|---|---|
| InChI | InChI=1S/C20H25F2NO3/c1-14(23-13-16-6-4-5-7-17(16)22)10-15-11-18(24-2)20(26-9-8-21)19(12-15)25-3/h4-7,11-12,14,23H,8-10,13H2,1-3H3 |
| InChIKey | OVQCLXVAXSUPOF-UHFFFAOYSA-N |
| Mol Weight | 365.42 g/mol |
| Molecular Formula | C20H25F2NO3 |
| Exact Mass | 365.18025 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9TliAAQbS6M |
|---|---|
| Name | 3C-fe N-(2-Fluorobenzyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.180249992 u |
| Formula | C20H25F2NO3 |
| InChI | InChI=1S/C20H25F2NO3/c1-14(23-13-16-6-4-5-7-17(16)22)10-15-11-18(24-2)20(26-9-8-21)19(12-15)25-3/h4-7,11-12,14,23H,8-10,13H2,1-3H3 |
| InChIKey | OVQCLXVAXSUPOF-UHFFFAOYSA-N |
| Molecular Weight | 365.421 g/mol |
| SMILES | C1(=C(C=C(C=C1OC)CC(NCC=1C(=CC=CC1)F)C)OC)OCCF |