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AR#I;[C6H3-2,6-(C6H2-2,6-ISO-PR2-4-TERT.-BUTYL)]-I
SpectraBase Compound ID DK6ejyG5RQK
InChI InChI=1S/C38H53I/c1-22(2)30-18-26(37(9,10)11)19-31(23(3)4)34(30)28-16-15-17-29(36(28)39)35-32(24(5)6)20-27(38(12,13)14)21-33(35)25(7)8/h15-25H,1-14H3
InChIKey SGPWESDAEPIGCX-UHFFFAOYSA-N
Mol Weight 636.7 g/mol
Molecular Formula C38H53I
Exact Mass 636.319197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bltm5WgA90x
Name AR#I;[C6H3-2,6-(C6H2-2,6-ISO-PR2-4-TERT.-BUTYL)]-I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H53I
InChI InChI=1S/C38H53I/c1-22(2)30-18-26(37(9,10)11)19-31(23(3)4)34(30)28-16-15-17-29(36(28)39)35-32(24(5)6)20-27(38(12,13)14)21-33(35)25(7)8/h15-25H,1-14H3
InChIKey SGPWESDAEPIGCX-UHFFFAOYSA-N
Literature Reference Author N.J.HARDMAN,R.J.WRIGHT,A.D.PHILLIPS,P.P.POWER
Literature Reference Citation J.AM.CHEM.SOC.,125,2667(2003)
Literature Reference DOI 10.1021/ja028579j
Molecular Weight 636.743 g/mol
Sample ID 40684
Solvent C6D6