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1-[4'-(6",11"-Dihydrdibenzo[b,e]thiepin-11"-yl)piperazin-1'-yl]-1-(4"'-chlorophenyl)ethanol, Hydrochloride salt
SpectraBase Compound ID AiLe8qaRMIZ
InChI InChI=1S/C26H27ClN2OS.ClH/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;1H/p-1
InChIKey HWONSLCHYVWWRC-UHFFFAOYSA-M
Mol Weight 486.48 g/mol
Molecular Formula C26H27Cl2N2OS
Exact Mass 485.122115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D8XTl2TFNpV
Name 1-[4'-(6",11"-Dihydrdibenzo[b,e]thiepin-11"-yl)piperazin-1'-yl]-1-(4"'-chlorophenyl)ethanol, Hydrochloride salt
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Formula C26H27Cl2N2OS
InChI InChI=1S/C26H27ClN2OS.ClH/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;1H/p-1
InChIKey HWONSLCHYVWWRC-UHFFFAOYSA-M
Molecular Weight 486.481 g/mol
SMILES [Cl-].OC(CN1CCN(C2c3c(SCc4c2cccc4)cccc3)CC1)c1ccc(Cl)cc1
SPLASH splash10-01r6-9550000000-247b8c59fa7e362a611d
Source of Spectrum G-59-665-IVb (Hydrochloride)
Synonyms 1-[4'-(6'',11''-Dihydrdibenzo[b,e]thiepin-11''-yl)piperazin-1'-yl]-1-(4'''-chlorophenyl)ethanol, Hydrochloride salt 1-(4-Chlorophenyl)-2-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-1-piperazinyl]ethanol, Hydrochloride salt 1-(4-Chlorophenyl)-2-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]ethanol, Hydrochloride salt
Wiley ID 748845