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2-CHLORO-7-FLUORO-11-{4-[2-(4-FLUOROBENZOYLETHYL)]PIPERAZINO}-10,11-DIHYDRODIBENZO[B,F]THIEPIN
SpectraBase Compound ID Htb1GQABfAN
InChI InChI=1S/C27H25ClF2N2OS/c28-20-4-8-26-23(16-20)24(15-19-3-7-22(30)17-27(19)34-26)32-13-11-31(12-14-32)10-9-25(33)18-1-5-21(29)6-2-18/h1-8,16-17,24H,9-15H2
InChIKey FXWSBTGJDGWROQ-UHFFFAOYSA-N
Mol Weight 499.02 g/mol
Molecular Formula C27H25ClF2N2OS
Exact Mass 498.134419 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3QOTv5iH8RM
Name 2-CHLORO-7-FLUORO-11-{4-[2-(4-FLUOROBENZOYLETHYL)]PIPERAZINO}-10,11-DIHYDRODIBENZO[B,F]THIEPIN
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H25ClF2N2OS
InChI InChI=1S/C27H25ClF2N2OS/c28-20-4-8-26-23(16-20)24(15-19-3-7-22(30)17-27(19)34-26)32-13-11-31(12-14-32)10-9-25(33)18-1-5-21(29)6-2-18/h1-8,16-17,24H,9-15H2
InChIKey FXWSBTGJDGWROQ-UHFFFAOYSA-N
Instrument Name Tesla BS487
Literature Reference V.BARTL, J.METYSOVA, M.PROTIVA (1981) Coll.Czech.Chem.Comm.: v.46, N1, 141-147.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d