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1-(4-FLUOROPHENYL)-4-[4-(7-FLUORO-2-ISOPROPYL-10,11-DIHYDRODIBENZO[B,F]THIEPIN-11-YL)PIPERAZINE-1-YL]BUTAN-1-ONE
SpectraBase Compound ID D5im3I7iOBw
InChI InChI=1S/C31H34F2N2OS/c1-21(2)23-8-12-30-27(18-23)28(19-24-7-11-26(33)20-31(24)37-30)35-16-14-34(15-17-35)13-3-4-29(36)22-5-9-25(32)10-6-22/h5-12,18,20-21,28H,3-4,13-17,19H2,1-2H3
InChIKey IIZOUEFDIZMEFL-UHFFFAOYSA-N
Mol Weight 520.7 g/mol
Molecular Formula C31H34F2N2OS
Exact Mass 520.235991 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID InmzrXFTGWi
Name 1-(4-FLUOROPHENYL)-4-[4-(7-FLUORO-2-ISOPROPYL-10,11-DIHYDRODIBENZO[B,F]THIEPIN-11-YL)PIPERAZINE-1-YL]BUTAN-1-ONE
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Formula C31H34F2N2OS
InChI InChI=1S/C31H34F2N2OS/c1-21(2)23-8-12-30-27(18-23)28(19-24-7-11-26(33)20-31(24)37-30)35-16-14-34(15-17-35)13-3-4-29(36)22-5-9-25(32)10-6-22/h5-12,18,20-21,28H,3-4,13-17,19H2,1-2H3
InChIKey IIZOUEFDIZMEFL-UHFFFAOYSA-N
Instrument Name Tesla BS487
Literature Reference M.PROTIVA, J, JILEK, M.RAJSNER, K.SINDELAR, V.BARTL, M.RYSKA, I.KORUNA,J.HOLUBEK, E.SVATEK, J.METYSOVA, A.DLABAC, J.POMYKACEK, F.MIKSIK (1987)Coll.Czech.Chem.Comm.: v.52, N7, 1811-1833.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d