| SpectraBase Spectrum ID |
5XB93gmTd5M |
| Name |
Moperone |
| CAS Registry Number |
1050-79-9 |
| Classification |
Pharmaceutical drug, antipsychotic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
355.194757242 u |
| Formula |
C22H26FNO2 |
| InChI |
InChI=1S/C22H26FNO2/c1-17-4-8-19(9-5-17)22(26)12-15-24(16-13-22)14-2-3-21(25)18-6-10-20(23)11-7-18/h4-11,26H,2-3,12-16H2,1H3 |
| InChIKey |
AGAHNABIDCTLHW-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
355.453 g/mol |
| Nominal Mass |
355 u |
| Quality |
985 |
| Retention Index |
2774 |
| SMILES |
OC1(C=2C=CC(=CC2)C)CCN(CC1)CCCC(C1=CC=C(C=C1)F)=O |
| SPLASH |
splash10-0gb9-6890000000-bce495f11b804738a624 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
1-(4-Fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-1-butanone
1-(4-Fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidyl]butan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002488 |
![1-Butanone, 1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-](/api/spectrum/5XB93gmTd5M/structure.png?h=300&w=458 "1-Butanone, 1-(4-fluorophenyl)-4-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-")
