95-75-0

3,4-二氯甲苯(95-75-0)質(zhì)譜(MS)

產(chǎn)品名稱:3,4-二氯甲苯

CAS:95-75-0

分子式:C7H6Cl2

分子量: 161.03

InChI:InChI=1S/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

InChIKey: WYUIWKFIFOJVKW-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=C(C)C=C1Cl

Mass

MS-NW-0589          
3,4-dichlorotoluene
C7H6Cl2             (Mass of molecular ion:    160)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      37.0       1.4
      38.0       1.6
      39.0       5.7
      43.0       2.3
      44.0       5.4
      49.0       1.1
      50.0       3.3
      51.0       2.3
      61.0       2.7
      62.0       8.0
      63.0      11.2
      64.0       1.5
      65.0       1.1
      73.0       4.7
      74.0       1.9
      75.0       2.5
      84.0       1.1
      85.0       1.4
      86.0       1.4
      87.0       1.7
      89.0      17.3
      90.0       3.5
      97.0       1.7
      99.0       5.3
     101.0       1.6
     123.0       3.8
     124.0       1.7
     125.0     100.0
     126.0       8.3
     127.0      32.3
     128.0       2.6
     133.0       1.1
     159.0       9.3
     160.0      48.3
     161.0       9.8
     162.0      30.7
     163.0       3.1
     164.0       5.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₆ Cl₂	0.04 ml : 0.5 ml CDCl₃
3,4-dichlorotoluene

    Assign.     Shift(ppm)

      A             7.27
      B             7.24
      C             6.975
      D             2.289

     Hz     ppm     Int.

    656.69   7.333    176
    648.31   7.239    442
    647.56   7.231    211
    646.88   7.223    176
    629.75   7.032     46
    629.13   7.025    127
    628.44   7.017    134
    627.00   7.001    105
    626.38   6.994    106
    625.75   6.987     40
    621.06   6.935     70
    620.38   6.927     76
    619.63   6.919     51
    618.94   6.911     69
    618.25   6.904     69
    617.63   6.897     27
    205.13   2.291   1000

in CDCl3