Α,Α,Α',Α'-四氯鄰二甲苯(25641-99-0)紅外圖譜(IR2)

產(chǎn)品名稱:Α,Α,Α',Α'-四氯鄰二甲苯

CAS:25641-99-0

分子式:C8H6Cl4

分子量: 243.95

InChI:InChI=1S/C8H6Cl4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,7-8H

InChIKey: UFJYKWQUTDGGPV-UHFFFAOYSA-N

Smiles:C1(C(Cl)Cl)=CC=CC=C1C(Cl)Cl

Mass

MS-NW-7756          
alpha,alpha,alpha',alpha'-tetrachloro-o-xylene
C8H6Cl4             (Mass of molecular ion:    242)

   Source Temperature: 130 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      36.0       2.1
      37.0       1.5
      38.0       1.9
      39.0       3.0
      49.0       2.0
      49.5       1.2
      50.0      12.1
      50.5       1.0
      51.0      11.4
      52.0       1.7
      61.0       2.2
      62.0       3.6
      63.0       5.1
      67.0       1.4
      68.0      12.6
      68.5       1.5
      69.0       4.7
      73.0       3.0
      74.0       5.7
      75.0      10.9
      76.0       3.6
      77.0       2.2
      84.0       1.2
      85.0       5.0
      86.0      12.7
      86.5       1.3
      87.0       7.9
      88.0       1.6
      89.0       1.5
      97.0       1.4
      98.0       1.7
      99.0       3.5
     100.0       1.6
     101.0      15.5
     102.0      13.2
     103.0       3.0
     104.0       2.2
     109.0       1.2
     111.0       1.0
     135.0       2.6
     136.0      10.0
     137.0      20.2
     138.0       6.0
     139.0       6.6
     159.0       1.7
     161.0       1.1
     171.0       5.9
     172.0      32.6
     173.0      10.3
     174.0      21.4
     175.0       5.3
     176.0       3.9
     206.0       4.8
     207.0     100.0
     208.0      13.9
     209.0      96.0
     210.0      10.9
     211.0      30.6
     212.0       3.1
     213.0       3.8
     241.0       1.4
     242.0      14.6
     243.0       2.8
     244.0      18.3
     245.0       2.3
     246.0       9.1
     247.0       1.0
     248.0       2.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₆ Cl₄	0.073 g : 0.5 ml CDCl₃
alpha,alpha,alpha',alpha'-tetrachloro-o-xylene

    Assign.     Shift(ppm)

      A             7.69
      B             7.45
      C             7.175

     Hz     ppm     Int.

    695.63   7.768    175
    692.19   7.729    199
    690.19   7.707    171
    689.38   7.698    141
    686.56   7.666    289
    686.13   7.662    266
    682.63   7.623     75
    674.19   7.528     87
    670.44   7.486    303
    667.25   7.451    184
    666.50   7.442    163
    664.50   7.420    197
    661.00   7.381    173
    642.63   7.176   1000

in CDCl3