| SpectraBase Compound ID | 4ZtkrOVS7wB |
|---|---|
| InChI | InChI=1S/C22H29N3S2.2C4H4O4/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24;2*5-3(6)1-2-4(7)8/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- |
| InChIKey | RVBRTNPNFYFDMZ-SPIKMXEPSA-N |
| Mol Weight | 631.76 g/mol |
| Molecular Formula | C30H37N3O8S2 |
| Exact Mass | 631.202208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IyKmhaiuwXL |
|---|---|
| Name | Thiethylperazine dimaleate in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 631.202207503 u |
| Formula | C30H37N3O8S2 |
| InChI | InChI=1S/C22H29N3S2.2C4H4O4/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24;2*5-3(6)1-2-4(7)8/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1- |
| InChIKey | RVBRTNPNFYFDMZ-SPIKMXEPSA-N |
| Molecular Weight | 631.759 g/mol |
| SMILES | OC(\C=C/C(O)=O)=O.C=1C=CC2=C(C1)SC1=C(N2CCCN2CCN(CC2)C)C=C(C=C1)SCC.OC(\C=C/C(O)=O)=O |