3,5-Dichloroiodobenzene(3032-81-3) MS
Product Name3,5-Dichloroiodobenzene
CAS3032-81-3
Molecular FormulaC6H3Cl2I
Molecular Weight272.9
InChIInChI=1S/C6H3Cl2I/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChIKey AATPRMRVLQZEHB-UHFFFAOYSA-N
SmilesC1(Cl)=CC(I)=CC(Cl)=C1
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MassMS-NW-9340 1,3-dichloro-5-iodobenzene C6H3Cl2I (Mass of molecular ion: 272)
Source Temperature: 270 °C Sample Temperature: 150 °C Reservoir, 75 eV
37.0 2.3 38.0 1.6 49.0 2.0 50.0 7.6 61.0 1.2 72.0 1.0 73.0 6.6 74.0 24.8 75.0 19.4 76.0 1.2 84.0 4.7 85.0 2.6 86.0 1.6 108.0 1.5 109.0 25.2 110.0 9.4 111.0 8.7 112.0 2.9 127.0 2.8 136.0 5.5 137.0 3.4 145.0 72.0 146.0 5.4 147.0 45.9 148.0 3.1 149.0 7.4 272.0 100.0 273.0 6.6 274.0 63.8 275.0 4.2 276.0 10.3
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 Cl2 I 0.044 g : 0.5 ml CDCl3 1,3-dichloro-5-iodobenzene 
Assign. Shift(ppm)
A 7.601 B 7.332
Hz ppm Int.3038.70 7.604 973 3036.87 7.599 1000 2932.01 7.337 281 2930.18 7.332 510 2928.34 7.328 259
in CDCl3
KBr disc
nujol mull
