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KKJCTUNATYRIQA-RBYGIERKSA-N

View entire compound with spectra: 1 NMR

KKJCTUNATYRIQA-RBYGIERKSA-N
SpectraBase Compound ID IRIKpWKBwya
InChI InChI=1S/C47H24Cl4F6N4/c48-27-9-1-23(2-10-27)37-31-17-18-32(58-31)38(24-3-11-28(49)12-4-24)34-20-22-36(60-34)40(26-7-15-30(51)16-8-26)44-42-41(45(52,53)47(56,57)46(42,54)55)43(61-44)39(35-21-19-33(37)59-35)25-5-13-29(50)14-6-25/h1-22,59-60H/b37-31-,37-33-,38-32-,38-34-,39-35-,40-36-,43-39-,44-40-
InChIKey KKJCTUNATYRIQA-RBYGIERKSA-N
Mol Weight 900.5 g/mol
Molecular Formula C47H24Cl4F6N4
Exact Mass 898.065927 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JkUI65LySRy
Name KKJCTUNATYRIQA-RBYGIERKSA-N
Compound Number 4B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H24Cl4F6N4
InChI InChI=1S/C47H24Cl4F6N4/c48-27-9-1-23(2-10-27)37-31-17-18-32(58-31)38(24-3-11-28(49)12-4-24)34-20-22-36(60-34)40(26-7-15-30(51)16-8-26)44-42-41(45(52,53)47(56,57)46(42,54)55)43(61-44)39(35-21-19-33(37)59-35)25-5-13-29(50)14-6-25/h1-22,59-60H/b37-31-,37-33-,38-32-,38-34-,39-35-,40-36-,43-39-,44-40-
InChIKey KKJCTUNATYRIQA-RBYGIERKSA-N
Literature Reference Author Z.ZENG,C.LIU,L.M.JIN,C.C.GUO,Q.Y.CHEN
Literature Reference Citation EUR.J.ORG.CHEM.,306(2005)
Solvent CDCl3
Source File Reference UWLU42310