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2-[4-[2-(3-chloranylbenzo[b][1]benzothiepin-6-yl)oxyethyl]piperazin-1-yl]ethanol
SpectraBase Compound ID InncwfWrysb
InChI InChI=1S/C22H25ClN2O2S/c23-18-5-6-21-17(15-18)16-20(19-3-1-2-4-22(19)28-21)27-14-12-25-9-7-24(8-10-25)11-13-26/h1-6,15-16,26H,7-14H2
InChIKey UQXRZRFVAUQZIV-UHFFFAOYSA-N
Mol Weight 416.97 g/mol
Molecular Formula C22H25ClN2O2S
Exact Mass 416.132527 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkCzqv4pRgJ
Name 2-[4-[2-(3-chloranylbenzo[b][1]benzothiepin-6-yl)oxyethyl]piperazin-1-yl]ethanol
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Formula C22H25ClN2O2S
InChI InChI=1S/C22H25ClN2O2S/c23-18-5-6-21-17(15-18)16-20(19-3-1-2-4-22(19)28-21)27-14-12-25-9-7-24(8-10-25)11-13-26/h1-6,15-16,26H,7-14H2
InChIKey UQXRZRFVAUQZIV-UHFFFAOYSA-N
Molecular Weight 416.967 g/mol
SMILES OCCN1CCN(CCOC=2c3c(Sc4c(C2)cc(cc4)Cl)cccc3)CC1
SPLASH splash10-052f-0901000000-1d34d99acd4e66e63274
Source of Spectrum G-55-2296-0
Synonyms 2-[4-[2-(3-chlorobenzo[b][1]benzothiepin-6-yl)oxyethyl]piperazin-1-yl]ethanol 2-[4-[2-(3-chlorobenzo[b][1]benzothiepin-6-yl)oxyethyl]piperazino]ethanol 2-[4-[2-[(3-chloro-6-benzo[b][1]benzothiepinyl)oxy]ethyl]-1-piperazinyl]ethanol
Wiley ID 748254