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2-CHLORO-3,7-DIFLUORO-11-[4-(4-FLUOROBENZYL)PIPERAZINO]-10,11-DIHYDRODIBENZO[B,F]THIEPIN
SpectraBase Compound ID tMZvmDUBXR
InChI InChI=1S/C25H22ClF3N2S/c26-21-13-20-23(11-17-3-6-19(28)12-24(17)32-25(20)14-22(21)29)31-9-7-30(8-10-31)15-16-1-4-18(27)5-2-16/h1-6,12-14,23H,7-11,15H2
InChIKey QEICQNRGBJIODO-UHFFFAOYSA-N
Mol Weight 474.97 g/mol
Molecular Formula C25H22ClF3N2S
Exact Mass 474.114432 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74zDrpocjdB
Name 2-CHLORO-3,7-DIFLUORO-11-[4-(4-FLUOROBENZYL)PIPERAZINO]-10,11-DIHYDRODIBENZO[B,F]THIEPIN
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H22ClF3N2S
InChI InChI=1S/C25H22ClF3N2S/c26-21-13-20-23(11-17-3-6-19(28)12-24(17)32-25(20)14-22(21)29)31-9-7-30(8-10-31)15-16-1-4-18(27)5-2-16/h1-6,12-14,23H,7-11,15H2
InChIKey QEICQNRGBJIODO-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