| SpectraBase Compound ID | 9oWN0AVsO1S |
|---|---|
| InChI | InChI=1S/C24H25F4NO3/c1-17(30)32-23(19-4-2-5-20(16-19)24(26,27)28)11-14-29(15-12-23)13-3-6-22(31)18-7-9-21(25)10-8-18/h2,4-5,7-10,16H,3,6,11-15H2,1H3 |
| InChIKey | YXWDXUXAWNOSJH-UHFFFAOYSA-N |
| Mol Weight | 451.46 g/mol |
| Molecular Formula | C24H25F4NO3 |
| Exact Mass | 451.177056 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1sNYbWgkOoI |
|---|---|
| Name | Trifluperidol acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 451.177056318 u |
| Formula | C24H25F4NO3 |
| InChI | InChI=1S/C24H25F4NO3/c1-17(30)32-23(19-4-2-5-20(16-19)24(26,27)28)11-14-29(15-12-23)13-3-6-22(31)18-7-9-21(25)10-8-18/h2,4-5,7-10,16H,3,6,11-15H2,1H3 |
| InChIKey | YXWDXUXAWNOSJH-UHFFFAOYSA-N |
| Molecular Weight | 451.462 g/mol |
| SMILES | C1=C(C=CC(=C1)F)C(CCCN1CCC(CC1)(OC(C)=O)C1=CC(=CC=C1)C(F)(F)F)=O |