| SpectraBase Spectrum ID |
5XxEtb3Mhua |
| Name |
Bromoperidol-A (-H2O) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
401.079055462 u |
| Formula |
C21H21BrFNO |
| InChI |
InChI=1S/C21H21BrFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2 |
| InChIKey |
RDGNOACOEMJXRF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
402.307 g/mol |
| Nominal Mass |
401 u |
| Quality |
775 |
| Retention Index |
2991 |
| SMILES |
C1(C=2C=CC(=CC2)Br)=CCN(CC1)CCCC(C=1C=CC(=CC1)F)=O |
| SPLASH |
splash10-000i-3790000000-baf67d02ca7755513c6b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(4-(4-bromophenyl)-3,6-dihydropyridin-1(2H)-yl)-1-(4-fluorophenyl)butan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012142 |
