| SpectraBase Spectrum ID |
DmJkZ3s6sls |
| Name |
Flupentixol-M (Oxo) |
| CAS Registry Number |
1693-28-3 |
| Classification |
Pharmaceutical drug metabolite |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
280.016970507 u |
| Formula |
C14H7F3OS |
| InChI |
InChI=1S/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H |
| InChIKey |
NEWRXGDGZGIHIS-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
280.264 g/mol |
| Nominal Mass |
280 u |
| Quality |
914 |
| Retention Index |
2045 |
| SMILES |
C12=C(SC=3C(C2=O)=CC=CC3)C=CC(C(F)(F)F)=C1 |
| SPLASH |
splash10-0f89-2290000000-564486485e41f234c9cd |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(Trifluoromethyl)thioxanthen-9-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009197 |
