2,6-DICHLOROSTYRENE(28469-92-3) IR1
Product Name2,6-DICHLOROSTYRENE
CAS28469-92-3
Molecular FormulaC8H6Cl2
Molecular Weight173.04
InChIInChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InChIKey YJCVRMIJBXTMNR-UHFFFAOYSA-N
SmilesC1(Cl)=CC=CC(Cl)=C1C=C
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MassMS-NW-3508 2,6-dichlorostyrene C8H6Cl2 (Mass of molecular ion: 172)
Source Temperature: 290 °C Sample Temperature: 180 °C Reservoir, 75 eV
26.0 1.3 27.0 2.4 36.0 1.6 37.0 3.5 38.0 3.0 39.0 3.2 49.0 4.1 49.5 2.2 50.0 19.9 50.5 1.1 51.0 14.6 52.0 2.2 60.0 1.2 61.0 4.3 62.0 5.2 63.0 6.2 68.0 9.6 68.5 1.1 69.0 3.3 72.0 1.0 73.0 5.5 74.0 17.2 75.0 26.4 76.0 6.4 77.0 1.7 84.0 3.1 85.0 3.8 86.0 4.1 87.0 3.5 89.0 1.3 97.0 2.3 98.0 3.8 99.0 8.8 100.0 7.7 101.0 44.0 102.0 32.7 103.0 3.0 109.0 3.1 110.0 2.0 111.0 4.0 112.0 1.5 113.0 1.1 123.0 1.6 125.0 3.1 135.0 5.1 136.0 16.5 137.0 89.7 138.0 13.2 139.0 31.6 140.0 2.6 146.0 2.5 148.0 1.7 159.0 2.5 160.0 1.4 161.0 1.8 171.0 2.4 172.0 100.0 173.0 11.7 174.0 66.5 175.0 7.5 176.0 11.7 177.0 1.5
90 MHz in CDCl3
parameter in CS2
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1H NMR 89.56 MHz C8 H6 Cl2 0.04 ml : 0.5 ml CDCl3 2,6-dichlorostyrene 
Assign. Shift(ppm)
A 7.28 B 7.08 C 6.69 D 5.79 E 5.71
Hz ppm Int.658.69 7.355 345 656.38 7.329 408 654.63 7.310 31 652.75 7.289 30 649.81 7.256 1000 649.38 7.251 893 646.25 7.216 50 645.31 7.206 51 639.13 7.137 484 632.94 7.068 249 632.44 7.062 204 629.75 7.032 168 623.56 6.963 113 623.13 6.958 96 616.31 6.882 154 604.88 6.754 188 598.31 6.681 228 586.88 6.553 296 526.69 5.881 345 525.13 5.864 551 517.31 5.777 538 515.75 5.759 330 508.75 5.681 301 507.13 5.663 317 505.88 5.649 365 504.31 5.631 332
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1H NMR 300 MHz C8 H6 Cl2 5 mol% in CS2 2,6-dichlorostyrene Parameter ppm Hz
D(A) 7.202 D(B) 7.002 D(C) 6.625 D(D) 5.729 D(E) 5.628 J(A,B) 8.06 J(A,C) 0.39 J(A,D) -0.10 J(A,E) 0.05 J(B,C) -0.53 J(B,D) 0.12 J(B,E) 0.13 J(C,D) 17.82 J(C,E) 11.72 J(D,E) 1.38 BARFIELD,M. ET AL. J.AM.CHEM.SOC. 93, 4195 (1971) J(A,E)<0.05
Hz ppm Int.2164.89 7.216 656 2156.86 7.190 1000 2107.99 7.027 271 2100.33 7.001 262 2099.81 6.999 257 2091.95 6.973 160 2002.70 6.676 173 1990.99 6.637 187 1984.88 6.616 197 1973.14 6.577 213 1728.03 5.760 316 1726.65 5.755 347 1710.21 5.701 282 1708.83 5.696 300 1694.81 5.649 344 1693.44 5.645 315 1683.13 5.610 315 1681.75 5.606 293
in CDCl3
liquid film
4880 A,200 M,liquid
