| SpectraBase Compound ID | BkZbfZaPZlN |
|---|---|
| InChI | InChI=1S/C21H26N2S2/c1-15-6-5-12-22-17(15)11-13-23-18-7-3-4-8-20(18)25-21-10-9-16(24-2)14-19(21)23/h3-4,7-10,14-15,17,22H,5-6,11-13H2,1-2H3 |
| InChIKey | MBDTXZKXEYMHDB-UHFFFAOYSA-N |
| Mol Weight | 370.57 g/mol |
| Molecular Formula | C21H26N2S2 |
| Exact Mass | 370.153741 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GMGIRM5e7Yb |
|---|---|
| Name | Thioridazine P1312 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.153741193 u |
| Formula | C21H26N2S2 |
| InChI | InChI=1S/C21H26N2S2/c1-15-6-5-12-22-17(15)11-13-23-18-7-3-4-8-20(18)25-21-10-9-16(24-2)14-19(21)23/h3-4,7-10,14-15,17,22H,5-6,11-13H2,1-2H3 |
| InChIKey | MBDTXZKXEYMHDB-UHFFFAOYSA-N |
| Molecular Weight | 370.573 g/mol |
| SMILES | C1=2C=CC=CC2N(CCC2NCCCC2C)C2=CC(=CC=C2S1)SC |