2,3-Dimethylbromobenzene(576-23-8) IR1
Product Name2,3-Dimethylbromobenzene
CAS576-23-8
Molecular FormulaC8H9Br
Molecular Weight185.06
InChIInChI=1S/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H3
InChIKey WLPXNBYWDDYJTN-UHFFFAOYSA-N
SmilesC1(Br)=CC=CC(C)=C1C
-
MassMS-NW-8663 3-bromo-o-xylene C8H9Br (Mass of molecular ion: 184)
Source Temperature: 260 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 3.7 38.0 1.7 39.0 6.4 50.0 5.2 51.0 14.7 52.0 3.8 53.0 2.3 61.0 1.0 62.0 2.7 63.0 6.5 64.0 1.4 65.0 2.0 74.0 2.1 75.0 2.0 76.0 1.8 77.0 19.0 78.0 10.9 79.0 16.6 80.0 1.1 89.0 3.0 90.0 3.1 91.0 1.8 92.0 1.4 102.0 2.6 103.0 17.7 104.0 9.0 105.0 100.0 106.0 9.1 169.0 6.8 171.0 6.6 183.0 3.4 184.0 55.4 185.0 8.1 186.0 54.2 187.0 4.8
400 MHz in CDCl3
90 MHz in CDCl3
-
1H NMR 399.65 MHz C8 H9 Br 0.05 ml : 0.5 ml CDCl3 3-bromo-o-xylene 
Assign. Shift(ppm)
A 7.344 B 7.007 C 6.872 D *1 2.307 E *1 2.260
Hz ppm Int.2939.58 7.356 176 2939.21 7.355 174 2931.52 7.336 190 2931.15 7.335 188 2805.30 7.020 150 2804.81 7.019 155 2797.36 7.000 200 2753.78 6.891 162 2745.97 6.871 243 2738.28 6.852 119 922.24 2.308 984 921.88 2.307 1000 903.20 2.260 941
-
1H NMR 89.56 MHz C8 H9 Br 0.05 ml : 0.5 ml CDCl3 3-bromo-o-xylene Assign. Shift(ppm)
A 7.35 B 7.02 C 6.90 D *1 2.324 E *1 2.283
Hz ppm Int.663.94 7.414 72 662.50 7.398 69 662.00 7.392 69 656.38 7.329 105 654.63 7.310 104 633.19 7.071 52 627.38 7.006 155 626.06 6.991 117 625.75 6.987 119 622.94 6.956 173 615.44 6.872 137 607.94 6.789 42 208.19 2.325 1000 204.44 2.283 872 200.19 2.236 55
in CDCl3
liquid film
4880 A,200 M,liquid
