2,4-Dinitroiodobenzene(709-49-9) IR2
Product Name2,4-Dinitroiodobenzene
CAS709-49-9
Molecular FormulaC6H3IN2O4
Molecular Weight294
InChIInChI=1S/C6H3IN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChIKey FXMKXMJLXRTQSW-UHFFFAOYSA-N
SmilesC1(I)=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O
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MassMS-NW-9429 1-iodo-2,4-dinitrobenzene C6H3IN2O4 (Mass of molecular ion: 294)
Source Temperature: 140 °C Sample Temperature: 110 °C Direct, 75 eV
18.0 2.5 28.0 1.9 30.0 13.0 37.0 1.3 38.0 2.1 50.0 1.9 61.0 1.0 62.0 2.4 63.0 8.8 73.0 2.1 74.0 18.2 75.0 43.8 76.0 4.2 77.0 2.3 79.0 5.8 91.0 5.3 93.0 1.2 107.0 5.9 127.0 1.2 201.0 13.2 202.0 11.6 218.0 6.5 248.0 10.2 264.0 3.0 294.0 100.0 295.0 7.5 296.0 1.1
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H3 I N2 O4 0.029 g : 0.5 ml CDCl3 1-iodo-2,4-dinitrobenzene 
Assign. Shift(ppm)
A 8.683 B 8.321 C 8.123
Hz ppm Int.3471.68 8.687 791 3469.12 8.681 812 3330.20 8.333 799 3326.42 8.324 23 3325.20 8.321 23 3324.83 8.320 22 3321.78 8.312 1000 3251.83 8.137 666 3249.27 8.131 646 3247.31 8.126 26 3247.07 8.125 26 3245.85 8.122 24 3243.16 8.116 543 3240.60 8.109 527
in CDCl3
KBr disc
nujol mull
