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1,3,5,7-TETRAKIS-[4-[BIS-(TRIFLUOROACETOXY)-IODO]-PHENYL]-ADAMANTANE
SpectraBase Compound ID 44t0JWLXXQ1
InChI InChI=1S/C50H28F24I4O16/c51-43(52,53)31(79)87-75(88-32(80)44(54,55)56)27-9-1-23(2-10-27)39-17-40(24-3-11-28(12-4-24)76(89-33(81)45(57,58)59)90-34(82)46(60,61)62)20-41(18-39,25-5-13-29(14-6-25)77(91-35(83)47(63,64)65)92-36(84)48(66,67)68)22-42(19-39,21-40)26-7-15-30(16-8-26)78(93-37(85)49(69,70)71)94-38(86)50(72,73)74/h1-16H,17-22H2/t39-,40+,41-,42+
InChIKey OGTRZWMIRMWBMN-LDCYWHLHSA-N
Mol Weight 1848.3 g/mol
Molecular Formula C50H28F24I4O16
Exact Mass 1847.717291 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6NGezLMEVL
Name 1,3,5,7-TETRAKIS-[4-[BIS-(TRIFLUOROACETOXY)-IODO]-PHENYL]-ADAMANTANE
Compound Number 1B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H28F24I4O16
InChI InChI=1S/C50H28F24I4O16/c51-43(52,53)31(79)87-75(88-32(80)44(54,55)56)27-9-1-23(2-10-27)39-17-40(24-3-11-28(12-4-24)76(89-33(81)45(57,58)59)90-34(82)46(60,61)62)20-41(18-39,25-5-13-29(14-6-25)77(91-35(83)47(63,64)65)92-36(84)48(66,67)68)22-42(19-39,21-40)26-7-15-30(16-8-26)78(93-37(85)49(69,70)71)94-38(86)50(72,73)74/h1-16H,17-22H2/t39-,40+,41-,42+
InChIKey OGTRZWMIRMWBMN-LDCYWHLHSA-N
Literature Reference Author T.DOHI,K.MORIMOTO,N.TAKENGA,A.MARUYAMA,Y.KITA
Literature Reference Citation CHEM.PHARM.BULL.,54,1608(2006)
Literature Reference DOI 10.1248/cpb.54.1608
Solvent CDCl3:CF3CO2H=10:1
Source File Reference UWLU55402