| SpectraBase Spectrum ID |
2nBa31MbGrI |
| Name |
Trifluperidol |
| CAS Registry Number |
749-13-3 |
| Classification |
Pharmaceutical drug, tranquiliser |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
409.166491635 u |
| Formula |
C22H23F4NO2 |
| InChI |
InChI=1S/C22H23F4NO2/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26/h1,3-4,6-9,15,29H,2,5,10-14H2 |
| InChIKey |
GPMXUUPHFNMNDH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
409.425 g/mol |
| Nominal Mass |
409 u |
| Quality |
991 |
| Retention Index |
3064 |
| SMILES |
OC1(C=2C=C(C(F)(F)F)C=CC2)CCN(CC1)CCCC(C1=CC=C(C=C1)F)=O |
| SPLASH |
splash10-05fu-9780000000-afe4225d50525875dfd8 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Flumoperone
1-(4-Fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidyl]butan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004125 |
![1-Butanone, 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-](/api/spectrum/2nBa31MbGrI/structure.png?h=300&w=458 "1-Butanone, 1-(4-fluorophenyl)-4-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]-1-piperidinyl]-")
