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2-{2-[4-(2-CHLORO-7-FLUORO-10,11-DIHYDRODIBENZO[B,F]THIEPIN-10-YL)PIPERAZINE-1-YL]ETHYL}-1,3-DIOXOLANEPROPIONAMIDE
SpectraBase Compound ID 6IfDHIAPBpI
InChI InChI=1S/C23H26ClFN2O2S/c24-17-1-4-21-16(13-17)14-20(19-3-2-18(25)15-22(19)30-21)27-9-7-26(8-10-27)6-5-23-28-11-12-29-23/h1-4,13,15,20,23H,5-12,14H2
InChIKey REVHAZQWZXMKQE-UHFFFAOYSA-N
Mol Weight 448.98 g/mol
Molecular Formula C23H26ClFN2O2S
Exact Mass 448.138755 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5OjNmPv6fIK
Name 2-{2-[4-(2-CHLORO-7-FLUORO-10,11-DIHYDRODIBENZO[B,F]THIEPIN-10-YL)PIPERAZINE-1-YL]ETHYL}-1,3-DIOXOLANEPROPIONAMIDE
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Formula C23H26ClFN2O2S
InChI InChI=1S/C23H26ClFN2O2S/c24-17-1-4-21-16(13-17)14-20(19-3-2-18(25)15-22(19)30-21)27-9-7-26(8-10-27)6-5-23-28-11-12-29-23/h1-4,13,15,20,23H,5-12,14H2
InChIKey REVHAZQWZXMKQE-UHFFFAOYSA-N
Instrument Name Tesla BS487
Literature Reference M.PROTIVA, J.JILEK, I.CERVENA, J.POMYKACEK, V.BARTL, A.DLABAC, M.VALCHAR,J.METYSOVA, J.HOLUBEK, E.SVATEK (1986) Coll.Czech.Chem.Comm.: v.51, N11, 2598-2616.
NMR Standard CCl3F
Observed nucleus 19F
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CHCl3 chloroform