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4-tert-Butyl-2,6-bis(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoro-ethyl)-iodo-benzene

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4-tert-Butyl-2,6-bis(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoro-ethyl)-iodo-benzene
SpectraBase Compound ID C76wkm4XUxV
InChI InChI=1S/C16H13F12IO2/c1-10(2,3)6-4-7(11(30,13(17,18)19)14(20,21)22)9(29)8(5-6)12(31,15(23,24)25)16(26,27)28/h4-5,30-31H,1-3H3
InChIKey OQSMDYOVGMLBFJ-UHFFFAOYSA-N
Mol Weight 592.16 g/mol
Molecular Formula C16H13F12IO2
Exact Mass 591.976863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8l2PFIHc2yH
Name 4-tert-Butyl-2,6-bis(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoro-ethyl)-iodo-benzene
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Formula C16H13F12IO2
InChI InChI=1S/C16H13F12IO2/c1-10(2,3)6-4-7(11(30,13(17,18)19)14(20,21)22)9(29)8(5-6)12(31,15(23,24)25)16(26,27)28/h4-5,30-31H,1-3H3
InChIKey OQSMDYOVGMLBFJ-UHFFFAOYSA-N
Literature Reference T.T. Nguyen, S.R. Wilson, J.C.Martin, J. Am. Chem. Soc. 108, 3803 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3