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1-[10-(4-Methyl-1-piperazinyl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl]ethanone
SpectraBase Compound ID 5A0Ce1pIJPL
InChI InChI=1S/C21H24N2OS/c1-15(24)16-7-8-20-17(13-16)14-19(23-11-9-22(2)10-12-23)18-5-3-4-6-21(18)25-20/h3-8,13,19H,9-12,14H2,1-2H3
InChIKey KJTATXJVLHYJFN-UHFFFAOYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H24N2OS
Exact Mass 352.160935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2J4gsDmVP03
Name 1-[10-(4-Methyl-1-piperazinyl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl]ethanone
CAS Registry Number 58721-99-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2OS
InChI InChI=1S/C21H24N2OS/c1-15(24)16-7-8-20-17(13-16)14-19(23-11-9-22(2)10-12-23)18-5-3-4-6-21(18)25-20/h3-8,13,19H,9-12,14H2,1-2H3
InChIKey KJTATXJVLHYJFN-UHFFFAOYSA-N
Molecular Weight 352.496 g/mol
SMILES c12c(ccc(c2)C(C)=O)Sc2c(cccc2)C(C1)N1CCN(CC1)C
SPLASH splash10-00dl-9131000000-5bc6dd696c7f99d37e2e
Source of Spectrum AD-0-2532-0
Synonyms 1-[6-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone 1-[6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone 1-[6-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-3-yl]ethanone Ethanone, 1-[10,11-dihydro-10-(4-methyl-1-piperazinyl)dibenzo[b,f]thiepin-2-yl]-
Wiley ID 1430526