| SpectraBase Compound ID | 6FBfNzc7EY4 |
|---|---|
| InChI | InChI=1S/C17H24F3NO4/c1-12(2)21(16(23)17(18,19)20)10-14(22)11-25-15-6-4-13(5-7-15)8-9-24-3/h4-7,12,14,22H,8-11H2,1-3H3 |
| InChIKey | JEFCXKWZWGUJDS-UHFFFAOYSA-N |
| Mol Weight | 363.38 g/mol |
| Molecular Formula | C17H24F3NO4 |
| Exact Mass | 363.165743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WWVDhiNtIc |
|---|---|
| Name | Metoprolol tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.165742742 u |
| Formula | C17H24F3NO4 |
| InChI | InChI=1S/C17H24F3NO4/c1-12(2)21(16(23)17(18,19)20)10-14(22)11-25-15-6-4-13(5-7-15)8-9-24-3/h4-7,12,14,22H,8-11H2,1-3H3 |
| InChIKey | JEFCXKWZWGUJDS-UHFFFAOYSA-N |
| Molecular Weight | 363.377 g/mol |
| SMILES | C(N(CC(COC=1C=CC(=CC1)CCOC)O)C(C)C)(C(F)(F)F)=O |