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2-CHLORO-7-FLUORO-11-{4-[2-(4-FLUOROPHENYLTHIOETHYL)]PIPERAZINO}-10,11-DIHYDRODIBENZO[B,F]THIEPIN MALEATE
SpectraBase Compound ID 4w8RQeYbR1c
InChI InChI=1S/C26H25ClF2N2S2.C4H4O4/c27-19-2-8-25-23(16-19)24(15-18-1-3-21(29)17-26(18)33-25)31-11-9-30(10-12-31)13-14-32-22-6-4-20(28)5-7-22;5-3(6)1-2-4(7)8/h1-8,16-17,24H,9-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey BFVINUGAYUJLCS-BTJKTKAUSA-N
Mol Weight 619.14 g/mol
Molecular Formula C30H29ClF2N2O4S2
Exact Mass 618.122534 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgtuwsgZtTZ
Name 2-CHLORO-7-FLUORO-11-{4-[2-(4-FLUOROPHENYLTHIOETHYL)]PIPERAZINO}-10,11-DIHYDRODIBENZO[B,F]THIEPIN MALEATE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H29ClF2N2O4S2
InChI InChI=1S/C26H25ClF2N2S2.C4H4O4/c27-19-2-8-25-23(16-19)24(15-18-1-3-21(29)17-26(18)33-25)31-11-9-30(10-12-31)13-14-32-22-6-4-20(28)5-7-22;5-3(6)1-2-4(7)8/h1-8,16-17,24H,9-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey BFVINUGAYUJLCS-BTJKTKAUSA-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