| SpectraBase Compound ID | BiL1uvClCcH |
|---|---|
| InChI | InChI=1S/C22H22FN3O3.C4H6O6/c23-17-5-3-4-16(14-17)20(27)15-8-10-25(11-9-15)12-13-26-21(28)18-6-1-2-7-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-7,14-15H,8-13H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10) |
| InChIKey | OUQMXFVCJKOZIT-UHFFFAOYSA-N |
| Mol Weight | 545.52 g/mol |
| Molecular Formula | C26H28FN3O9 |
| Exact Mass | 545.180958 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8zJwEKQ1rXH |
|---|---|
| Name | Ketanserin tartrate in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 545.180957648 u |
| Formula | C26H28FN3O9 |
| InChI | InChI=1S/C22H22FN3O3.C4H6O6/c23-17-5-3-4-16(14-17)20(27)15-8-10-25(11-9-15)12-13-26-21(28)18-6-1-2-7-19(18)24-22(26)29;5-1(3(7)8)2(6)4(9)10/h1-7,14-15H,8-13H2,(H,24,29);1-2,5-6H,(H,7,8)(H,9,10) |
| InChIKey | OUQMXFVCJKOZIT-UHFFFAOYSA-N |
| Molecular Weight | 545.520 g/mol |
| SMILES | C12=CC=CC=C2C(N(C(N1)=O)CCN1CCC(C(=O)C=2C=C(C=CC2)F)CC1)=O.OC(C(C(O)C(=O)O)O)=O |