| SpectraBase Compound ID | EJcBz61Yxal |
|---|---|
| InChI | InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3 |
| InChIKey | YQNWZWMKLDQSAC-UHFFFAOYSA-N |
| Mol Weight | 298.45 g/mol |
| Molecular Formula | C18H22N2S |
| Exact Mass | 298.15037 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 766WswmvL1I |
|---|---|
| Name | Vortioxetin P896 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.150369890 u |
| Formula | C18H22N2S |
| InChI | InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3 |
| InChIKey | YQNWZWMKLDQSAC-UHFFFAOYSA-N |
| Molecular Weight | 298.448 g/mol |
| SMILES | C1CNCCN1C=1C=CC=CC1SC1=C(C=C(C=C1)C)C |