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1-(6',11'-Dihydrodibenzo[b,e]thiepin-1'-yl)-4-(4"-fluorophenacyl)piperazine
SpectraBase Compound ID EoNwnngr8z0
InChI InChI=1S/C26H25FN2OS/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/h1-12,26H,13-18H2
InChIKey PQPNCBRMPWFFDL-UHFFFAOYSA-N
Mol Weight 432.56 g/mol
Molecular Formula C26H25FN2OS
Exact Mass 432.167163 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xMGDCb3FD
Name 1-(6',11'-Dihydrodibenzo[b,e]thiepin-1'-yl)-4-(4"-fluorophenacyl)piperazine
Alternate Name(s) 1-(6',11'-Dihydrodibenzo[b,e]thiepin-1'-yl)-4-(4''-fluorophenacyl)piperazine 2-[4-(6,11-dihydrodibenzo[b,e]thiepin-1-yl)-1-piperazinyl]-1-(4-fluorophenyl)ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25FN2OS
InChI InChI=1S/C26H25FN2OS/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/h1-12,26H,13-18H2
InChIKey PQPNCBRMPWFFDL-UHFFFAOYSA-N
Molecular Weight 432.557 g/mol
SMILES C1(N2CCN(CC2)CC(c2ccc(cc2)F)=O)c2c(SCc3c1cccc3)cccc2
SPLASH splash10-03di-1390000000-5e306ba746f3a5afe510
Source of Spectrum G-59-664-0
Wiley ID 748848