2,4,6-Trimethybromombenzene (576-83-0) 13C NMR
Product Name2,4,6-Trimethybromombenzene
CAS576-83-0
Molecular FormulaC9H11Br
Molecular Weight199.09
InChIInChI=1S/C9H11Br/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,1-3H3
InChIKey RRTLQRYOJOSPEA-UHFFFAOYSA-N
SmilesC1(C)=CC(C)=CC(C)=C1Br
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MassMS-NW-8603 2-bromomesitylene C9H11Br (Mass of molecular ion: 198)
Source Temperature: 250 °C Sample Temperature: 140 °C Reservoir, 75 eV
27.0 3.8 38.0 1.5 39.0 9.8 40.0 1.2 41.0 8.3 50.0 4.2 51.0 9.6 52.0 3.1 53.0 3.3 57.0 2.3 57.5 3.9 58.0 6.0 59.0 1.1 62.0 2.2 63.0 5.7 64.0 1.2 65.0 5.8 74.0 1.9 75.0 2.0 76.0 1.5 77.0 10.7 78.0 5.3 79.0 3.6 89.0 2.3 91.0 23.4 92.0 2.5 93.0 2.5 98.0 1.7 99.0 1.9 102.0 2.5 103.0 11.3 104.0 7.4 115.0 9.3 116.0 2.3 117.0 16.6 118.0 5.6 119.0 100.0 120.0 10.0 183.0 4.9 185.0 4.8 197.0 3.2 198.0 51.1 199.0 8.1 200.0 49.7 201.0 4.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C9 H11 Br 0.04 ml : 0.5 ml CDCl3 2-bromomesitylene 
Assign. Shift(ppm)
A 6.86 B 2.357 C 2.218
Hz ppm Int.615.19 6.870 200 614.56 6.862 211 211.06 2.357 1000 198.69 2.219 457
in CDCl3
liquid film
4880 A,200 M,liquid
