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Flupentixol AC
SpectraBase Compound ID JpzNhYwX197
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-CGOBSMCZSA-N
Mol Weight 476.56 g/mol
Molecular Formula C25H27F3N2O2S
Exact Mass 476.174534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BPUGa8UrA1A
Name 4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-(2-acetoxyethyl)piperazine
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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-CGOBSMCZSA-N
Molecular Weight 476.558 g/mol
SMILES c12\C(c3c(Sc2ccc(C(F)(F)F)c1)cccc3)=C\CCN1CCN(CC1)CCOC(=O)C
SPLASH splash10-000i-7900000000-16905b3a16e63f666c78
Source of Spectrum CJ-1992-0-0
Synonyms 2-(4-{(3E)-3-[2-(trifluoromethyl)-10H-dibenzo[b,e]thiopyran-10-ylidene]propyl}-1-piperazinyl)ethyl acetate
Wiley ID 1394272