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3-[4-(2-CHLORO-7-FLUORO-10,11-DIHYDRODIBENZO[B,F]THIEPIN-10-YL)PIPERAZINE-1-YL]PROPIONAMIDE
SpectraBase Compound ID 7jtUuJysjgI
InChI InChI=1S/C21H23ClFN3OS/c22-15-1-4-19-14(11-15)12-18(17-3-2-16(23)13-20(17)28-19)26-9-7-25(8-10-26)6-5-21(24)27/h1-4,11,13,18H,5-10,12H2,(H2,24,27)
InChIKey YTRZDTTZCDSVOR-UHFFFAOYSA-N
Mol Weight 419.95 g/mol
Molecular Formula C21H23ClFN3OS
Exact Mass 419.123439 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2aAtQHm6E2T
Name 3-[4-(2-CHLORO-7-FLUORO-10,11-DIHYDRODIBENZO[B,F]THIEPIN-10-YL)PIPERAZINE-1-YL]PROPIONAMIDE
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Formula C21H23ClFN3OS
InChI InChI=1S/C21H23ClFN3OS/c22-15-1-4-19-14(11-15)12-18(17-3-2-16(23)13-20(17)28-19)26-9-7-25(8-10-26)6-5-21(24)27/h1-4,11,13,18H,5-10,12H2,(H2,24,27)
InChIKey YTRZDTTZCDSVOR-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