| SpectraBase Spectrum ID |
5Y1Z0wR51Xs |
| Name |
Haloperidol |
| CAS Registry Number |
52-86-8 |
| Classification |
Pharmaceutical drug, neuroleptic |
| 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 |
375.140134846 u |
| Formula |
C21H23ClFNO2 |
| InChI |
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 |
| InChIKey |
LNEPOXFFQSENCJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
375.871 g/mol |
| Nominal Mass |
375 u |
| Quality |
962 |
| Retention Index |
2942 |
| SMILES |
OC1(C2=CC=C(C=C2)Cl)CCN(CC1)CCCC(C1=CC=C(C=C1)F)=O |
| SPLASH |
splash10-00dr-9780000000-131f1ee42e57ee156422 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidyl]-1-(4-fluorophenyl)butan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009310 |
