| SpectraBase Compound ID | Ex3IXmRwwMa |
|---|---|
| InChI | InChI=1S/C10H11F3N2O/c1-15(9(16)10(11,12)13)7-5-8-4-2-3-6-14-8/h2-4,6H,5,7H2,1H3 |
| InChIKey | LBUQHCWROJWPLP-UHFFFAOYSA-N |
| Mol Weight | 232.21 g/mol |
| Molecular Formula | C10H11F3N2O |
| Exact Mass | 232.082347 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jj7ke1N1kTB |
|---|---|
| Name | Betahistine tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.082347470 u |
| Formula | C10H11F3N2O |
| InChI | InChI=1S/C10H11F3N2O/c1-15(9(16)10(11,12)13)7-5-8-4-2-3-6-14-8/h2-4,6H,5,7H2,1H3 |
| InChIKey | LBUQHCWROJWPLP-UHFFFAOYSA-N |
| Molecular Weight | 232.206 g/mol |
| SMILES | C(C(F)(F)F)(N(CCC1=NC=CC=C1)C)=O |