1,4-Diiodobenzene(624-38-4) IR3
Product Name1,4-Diiodobenzene
CAS624-38-4
Molecular FormulaC6H4I2
Molecular Weight329.9
InChIInChI=1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H
InChIKey LFMWZTSOMGDDJU-UHFFFAOYSA-N
SmilesC1(I)=CC=C(I)C=C1
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MassMS-NW-2263 p-diiodobenzene C6H4I2 (Mass of molecular ion: 330)
Source Temperature: 270 °C Sample Temperature: 170 °C Reservoir, 75 eV
37.0 2.0 38.0 1.9 49.0 1.8 50.0 24.6 51.0 1.7 73.0 2.4 74.0 11.2 75.0 9.5 76.0 45.8 77.0 3.0 127.0 3.4 165.0 4.1 203.0 41.6 204.0 2.7 330.0 100.0 331.0 6.6
parameter in cyclohexane
parameter in CDCl3
parameter neat
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1H NMR 300 MHz C6 H4 I2 in cyclohexane p-diiodobenzene 
Parameter ppm Hz
D(A) 7.353 MARTIN,J. & DAILEY,B.P. J.CHEM.PHYS. 37, 2594 (1962)
Hz ppm Int.2205.90 7.353 1000
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1H NMR 300 MHz C6 H4 I2 0.044 g : 0.5 ml CDCl3 p-diiodobenzene Parameter ppm Hz
D(A) 7.400
Hz ppm Int.2220.00 7.400 1000
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1H NMR 300 MHz C6 H4 I2 neat p-diiodobenzene Parameter ppm Hz
D(A) 7.306 CRECELY,R.W. ET AL. SPECTROCHIM.ACTA 24A, 685 (1968)
Hz ppm Int.2191.80 7.306 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
