| SpectraBase Compound ID | B0TXHH3U8Jl |
|---|---|
| InChI | InChI=1S/C20H21F3N2OS/c1-14-7-8-17(15(2)13-14)27-18-6-4-3-5-16(18)24-9-11-25(12-10-24)19(26)20(21,22)23/h3-8,13H,9-12H2,1-2H3 |
| InChIKey | WSUUZDUZFXPYSE-UHFFFAOYSA-N |
| Mol Weight | 394.46 g/mol |
| Molecular Formula | C20H21F3N2OS |
| Exact Mass | 394.132669 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iwu0TkWpMyf |
|---|---|
| Name | Vortioxetin tfa P1420 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.132668966 u |
| Formula | C20H21F3N2OS |
| InChI | InChI=1S/C20H21F3N2OS/c1-14-7-8-17(15(2)13-14)27-18-6-4-3-5-16(18)24-9-11-25(12-10-24)19(26)20(21,22)23/h3-8,13H,9-12H2,1-2H3 |
| InChIKey | WSUUZDUZFXPYSE-UHFFFAOYSA-N |
| Molecular Weight | 394.456 g/mol |
| SMILES | C1CN(CCN1C1=C(SC2=C(C=C(C=C2)C)C)C=CC=C1)C(=O)C(F)(F)F |