ALPHA,ALPHA',2,3,5,6-HEXACHLORO-P-XYLENE(1079-17-0) 13C NMR
Product NameALPHA,ALPHA',2,3,5,6-HEXACHLORO-P-XYLENE
CAS1079-17-0
Molecular FormulaC8H4Cl6
Molecular Weight312.84
InChIInChI=1S/C8H4Cl6/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2
InChIKey IYGDLOMSJZQSGY-UHFFFAOYSA-N
SmilesC1(Cl)=C(CCl)C(Cl)=C(Cl)C(CCl)=C1Cl
-
MassMS-NW-4735 alpha,alpha',2,3,5,6-hexachloro-p-xylene C8H4Cl6 (Mass of molecular ion: 310)
Source Temperature: 200 °C Sample Temperature: 180 °C Reservoir, 75 eV
35.0 2.2 36.0 6.2 37.0 1.9 38.0 2.0 47.0 1.1 49.0 3.5 50.0 5.3 51.0 2.0 60.0 1.2 61.0 4.1 62.0 2.3 63.0 1.0 66.5 1.6 67.0 2.0 72.0 1.1 73.0 3.4 74.0 5.9 75.0 3.2 83.0 1.0 84.0 4.9 84.5 1.1 85.0 9.5 86.0 3.9 87.0 2.1 96.0 1.3 97.0 2.9 98.0 6.0 99.0 6.2 100.0 1.4 102.0 8.8 102.5 1.9 103.0 8.3 103.5 1.6 104.0 2.9 107.0 1.9 108.0 3.0 109.0 4.2 110.0 1.3 111.0 1.3 119.0 2.5 119.5 1.0 120.0 6.1 120.5 1.5 121.0 5.8 122.0 2.4 123.0 1.0 131.0 1.0 133.0 7.0 134.0 3.8 135.0 5.6 136.0 1.4 137.0 1.4 143.0 1.3 168.0 1.3 169.0 6.2 170.0 23.9 171.0 5.7 172.0 15.1 173.0 1.9 174.0 2.5 191.0 1.0 193.0 1.2 204.0 11.6 205.0 14.7 206.0 11.9 207.0 14.0 208.0 4.8 209.0 4.7 239.0 3.8 240.0 29.1 241.0 7.7 242.0 35.8 243.0 6.1 244.0 18.1 245.0 2.3 246.0 4.2 263.0 1.5 265.0 1.0 274.0 1.5 275.0 61.0 276.0 7.8 277.0 100.0 278.0 10.3 279.0 65.6 280.0 6.1 281.0 20.7 282.0 2.0 283.0 3.4 310.0 18.0 311.0 2.1 312.0 34.4 313.0 3.1 314.0 28.0 315.0 2.7 316.0 11.5 317.0 1.1 318.0 3.0
parameter in CDCl3
-
1H NMR 300 MHz C8 H4 Cl6 0.040 g : 0.5 ml CDCl3 alpha,alpha',2,3,5,6-hexachloro-p-xylene 
Parameter ppm Hz
D(A) 4.917
Hz ppm Int.1475.10 4.917 1000
in CDCl3
CCl4 solution
KBr disc
nujol mull
