| SpectraBase Spectrum ID |
JFkAT1KW1yK |
| Name |
Flupenthixol AC |
| Classification |
Pharmaceutical drug derivative |
| 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 |
476.174533778 u |
| Formula |
C25H27F3N2O2S |
| InChI |
InChI=1S/C25H27F3N2O2S/c1-18(31)32-16-15-30-13-11-29(12-14-30)10-4-6-20-21-5-2-3-7-23(21)33-24-9-8-19(17-22(20)24)25(26,27)28/h2-3,5-9,17H,4,10-16H2,1H3/b20-6- |
| InChIKey |
LIMWKBFFZAAUHI-IOXNKQMXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
476.558 g/mol |
| Nominal Mass |
476 u |
| Quality |
931 |
| Retention Index |
3615 |
| SMILES |
C1=2\C(C=3C(SC2C=CC(=C1)C(F)(F)F)=CC=CC3)=C/CCN1CCN(CC1)CCOC(=O)C |
| SPLASH |
splash10-000i-4920000000-c7cf5c97afd173003ddb |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-(4-(3-((9Z)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazin-1-yl)ethyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009187 |
