| SpectraBase Spectrum ID |
DnnQBKk6gxU |
| Name |
Pimozide |
| CAS Registry Number |
2062-78-4 |
| Classification |
Pharmaceutical drug, tranquiliser |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
461.227868891 u |
| Formula |
C28H29F2N3O |
| InChI |
InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34) |
| InChIKey |
YVUQSNJEYSNKRX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
461.557 g/mol |
| Nominal Mass |
461 u |
| Quality |
960 |
| Retention Index |
3731 |
| SMILES |
C=12N(C(NC2=CC=CC1)=O)C1CCN(CC1)CCCC(C1=CC=C(C=C1)F)C1=CC=C(C=C1)F |
| SPLASH |
splash10-001i-5790100000-948a60af1f1109e07273 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-[1-[4,4-Bis(4-fluorophenyl)butyl]-4-piperidyl]-3H-benzoimidazol-2-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_025627 |
