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1,2-(CO2ME)2-4,5-(C6HF5)2-3,6-(C6H5)2-C6

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1,2-(CO2ME)2-4,5-(C6HF5)2-3,6-(C6H5)2-C6
SpectraBase Compound ID GQJ27ecxVPJ
InChI InChI=1S/C34H16F10O4/c1-47-33(45)19-15(13-9-5-3-6-10-13)17(21-23(35)27(39)31(43)28(40)24(21)36)18(22-25(37)29(41)32(44)30(42)26(22)38)16(20(19)34(46)48-2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey VKTWXWSAYSQORM-UHFFFAOYSA-N
Mol Weight 678.5 g/mol
Molecular Formula C34H16F10O4
Exact Mass 678.088891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClCFAqSh53U
Name 1,2-(CO2ME)2-4,5-(C6HF5)2-3,6-(C6H5)2-C6
Compound Number 5C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H16F10O4
InChI InChI=1S/C34H16F10O4/c1-47-33(45)19-15(13-9-5-3-6-10-13)17(21-23(35)27(39)31(43)28(40)24(21)36)18(22-25(37)29(41)32(44)30(42)26(22)38)16(20(19)34(46)48-2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey VKTWXWSAYSQORM-UHFFFAOYSA-N
Literature Reference Author S.A.JONSON,F.Q.LIU,M.C.SUH,S.ZUERCHER,M.HAUFE,S.S.H.MAO,T.D. TILLEY
Literature Reference Citation J.AM.CHEM.SOC.,125,4199(2003)
Literature Reference DOI 10.1021/ja0209161
Molecular Weight 678.483 g/mol
Sample ID 40854
Solvent CDCl3