2,5-DICHLOROTOLUENE(19398-61-9) MS
Product Name2,5-DICHLOROTOLUENE
CAS19398-61-9
Molecular FormulaC7H6Cl2
Molecular Weight161.03
InChIInChI=1S/C7H6Cl2/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3
InChIKey KFAKZJUYBOYVKA-UHFFFAOYSA-N
SmilesC1(Cl)=CC=C(Cl)C=C1C
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MassMS-NW-5643 2,5-dichlorotoluene C7H6Cl2 (Mass of molecular ion: 160)
Source Temperature: 280 °C Sample Temperature: 190 °C Reservoir, 75 eV
36.0 1.0 37.0 1.9 38.0 2.5 39.0 6.8 43.0 3.7 43.5 1.1 44.0 8.5 44.5 1.2 49.0 1.4 50.0 4.3 51.0 3.7 60.0 1.2 61.0 4.0 61.5 1.4 62.0 12.3 62.5 1.0 63.0 15.4 64.0 2.0 65.0 1.2 73.0 6.0 74.0 2.5 75.0 2.7 80.0 1.2 84.0 1.2 85.0 2.2 86.0 2.4 87.0 2.6 88.0 1.0 89.0 29.3 90.0 4.6 91.0 1.2 97.0 2.0 99.0 5.8 101.0 1.7 123.0 4.0 124.0 5.8 125.0 100.0 126.0 10.0 127.0 31.4 128.0 2.7 133.0 1.0 159.0 7.6 160.0 66.9 161.0 10.1 162.0 44.2 163.0 4.2 164.0 7.0
90 MHz in CDCl3
400 MHz in CDCl3
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1H NMR 89.56 MHz C7 H6 Cl2 0.04 ml : 0.5 ml CDCl3 2,5-dichlorotoluene 
Assign. Shift(ppm)
A 7.24 B 7.19 C 7.09 D 2.327
Hz ppm Int.652.94 7.291 80 652.63 7.288 79 646.13 7.215 77 645.44 7.207 147 644.25 7.194 438 643.50 7.186 256 642.88 7.179 209 642.25 7.172 121 638.25 7.127 170 637.69 7.121 175 635.63 7.098 80 635.19 7.093 87 630.06 7.036 45 629.44 7.029 51 628.88 7.022 30 627.44 7.006 38 626.94 7.001 39 208.50 2.329 1000
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1H NMR 399.65 MHz C7 H6 Cl2 0.05 ml : 0.5 ml CDCl3 2,5-dichlorotoluene Assign. Shift(ppm)
A 7.207 B 7.167 C 7.061 D 2.308
Hz ppm Int.2885.25 7.220 278 2884.89 7.219 280 2876.46 7.198 347 2866.21 7.172 215 2865.84 7.171 216 2865.48 7.170 212 2863.65 7.166 233 2863.28 7.165 231 2827.27 7.075 167 2826.78 7.074 155 2824.71 7.068 148 2824.22 7.067 137 2818.85 7.054 125 2818.24 7.052 121 2816.28 7.047 113 2815.67 7.046 107 922.49 2.309 1000
in CDCl3
liquid film
