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1-[4'-(6",11"-Dihydrdibenzo[b,e]thiepin-11"-yl)piperazin-1'-yl]-1-(4"'-fluorophenyl)ethanol
SpectraBase Compound ID LPASiTNi0fv
InChI InChI=1S/C26H27FN2OS/c27-21-11-9-19(10-12-21)24(30)17-28-13-15-29(16-14-28)26-22-6-2-1-5-20(22)18-31-25-8-4-3-7-23(25)26/h1-12,24,26,30H,13-18H2
InChIKey MMSFRVJWBOMSJW-UHFFFAOYSA-N
Mol Weight 434.57 g/mol
Molecular Formula C26H27FN2OS
Exact Mass 434.182813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L1qv8YAshgg
Name 1-[4'-(6",11"-Dihydrdibenzo[b,e]thiepin-11"-yl)piperazin-1'-yl]-1-(4"'-fluorophenyl)ethanol
Alternate Name(s) 1-[4'-(6'',11''-Dihydrdibenzo[b,e]thiepin-11''-yl)piperazin-1'-yl]-1-(4'''-fluorophenyl)ethanol 2-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-1-piperazinyl]-1-(4-fluorophenyl)ethanol 2-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]-1-(4-fluorophenyl)ethanol
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Formula C26H27FN2OS
InChI InChI=1S/C26H27FN2OS/c27-21-11-9-19(10-12-21)24(30)17-28-13-15-29(16-14-28)26-22-6-2-1-5-20(22)18-31-25-8-4-3-7-23(25)26/h1-12,24,26,30H,13-18H2
InChIKey MMSFRVJWBOMSJW-UHFFFAOYSA-N
Molecular Weight 434.573 g/mol
SMILES OC(CN1CCN(C2c3c(SCc4c2cccc4)cccc3)CC1)c1ccc(cc1)F
SPLASH splash10-03di-1290000000-acf95375767b9c1566af
Source of Spectrum G-59-665-0
Wiley ID 748847