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CGXJIAKINXRZCQ-IHAKKMGISA-N

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CGXJIAKINXRZCQ-IHAKKMGISA-N
SpectraBase Compound ID LKbZOrpnLfp
InChI InChI=1S/C48H36F8/c49-45(50)37-17-18-38(42-34-21-29-13-9-25-1-2-26(4-3-25)10-14-30(34)22-33(29)41(37)42)46(51,52)48(55,56)40-20-19-39(47(45,53)54)43-35-23-32-16-12-28-7-5-27(6-8-28)11-15-31(35)24-36(32)44(40)43/h1-8,17-24,33-36H,9-16H2/t33-,34-,35+,36+
InChIKey CGXJIAKINXRZCQ-IHAKKMGISA-N
Mol Weight 764.8 g/mol
Molecular Formula C48H36F8
Exact Mass 764.268926 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 37yHFPoHfMt
Name CGXJIAKINXRZCQ-IHAKKMGISA-N
Compound Number 14B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H36F8
InChI InChI=1S/C48H36F8/c49-45(50)37-17-18-38(42-34-21-29-13-9-25-1-2-26(4-3-25)10-14-30(34)22-33(29)41(37)42)46(51,52)48(55,56)40-20-19-39(47(45,53)54)43-35-23-32-16-12-28-7-5-27(6-8-28)11-15-31(35)24-36(32)44(40)43/h1-8,17-24,33-36H,9-16H2/t33-,34-,35+,36+
InChIKey CGXJIAKINXRZCQ-IHAKKMGISA-N
Literature Reference Author M.A.BATTISTE,J.X.DUAN,Y.A.ZHAI,I.GHIVIRIGA,K.A.ABBOUD,W.R.DO LBIER
Literature Reference Citation J.ORG.CHEM.,68,3078(2003)
Literature Reference DOI 10.1021/jo0268815
Solvent CDCl3
Source File Reference UWSI22831