2,4,6-Trimethyliodobenzene(4028-63-1) IR1
Product Name2,4,6-Trimethyliodobenzene
CAS4028-63-1
Molecular FormulaC9H11I
Molecular Weight246.09
InChIInChI=1S/C9H11I/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
InChIKey GTPNXFKONRIHRW-UHFFFAOYSA-N
SmilesC1(C)=CC(C)=CC(C)=C1I
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MassMS-IW-8136 2-iodomesitylene C9H11I (Mass of molecular ion: 246)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 1.1 39.0 3.3 41.0 5.4 50.0 1.3 51.0 3.1 52.0 1.2 53.0 1.3 63.0 2.0 65.0 2.4 77.0 5.5 78.0 2.3 79.0 3.1 91.0 18.7 92.0 1.7 93.0 2.5 102.0 1.0 103.0 6.2 104.0 4.6 115.0 5.0 116.0 1.1 117.0 10.0 118.0 3.6 119.0 47.1 120.0 4.7 123.0 1.4 245.0 1.8 246.0 100.0 247.0 9.9
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H11 I 0.047 g : 0.5 ml CDCl3 2-iodomesitylene 
Assign. Shift(ppm)
A 6.871 B 2.419 C 2.225
Hz ppm Int.2746.46 6.873 235 2745.85 6.871 243 966.80 2.420 1000 889.28 2.226 503
in CDCl3
KBr disc
nujol mull
