13014-24-9

3,4-二氯三氯苄(13014-24-9)核磁图(¹³CNMR)

产品名称:3,4-二氯三氯苄

CAS:13014-24-9

分子式:C7H3Cl5

分子量: 264.36

InChI:InChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

InChIKey: ATYLRBXENHNROH-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9263          
alpha,alpha,alpha,3,4-pentachlorotoluene
C7H3Cl5             (Mass of molecular ion:    262)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.8
      36.0       2.5
      37.0       2.0
      38.0       1.2
      43.0       2.9
      49.0       1.7
      50.0       2.5
      60.0       7.1
      60.5       2.8
      61.0       6.1
      62.0       2.5
      72.0       2.4
      73.0       6.1
      74.0       2.8
      75.0       2.8
      78.0       9.6
      78.5       1.7
      79.0       6.1
      80.0       1.0
      83.0       1.3
      84.0       2.5
      85.0       4.1
      86.0       5.0
      87.0       4.5
      95.0       1.8
      95.5       3.0
      96.0       7.5
      96.5       3.3
      97.0       8.7
      98.0       2.3
      99.0       1.4
     107.0       5.8
     109.0       4.6
     111.0       1.1
     113.0       2.7
     113.5       7.4
     114.0       3.8
     114.5       9.3
     115.0       4.0
     115.5       1.9
     121.0       2.6
     122.0       1.4
     123.0       1.1
     131.0       1.4
     133.0       1.5
     157.0      17.4
     158.0       1.6
     159.0      11.1
     161.0       1.9
     167.0       1.6
     169.0       1.5
     173.0       1.3
     191.0       2.4
     192.0       6.3
     193.0       3.5
     194.0       6.1
     195.0       1.9
     196.0       2.0
     227.0      78.6
     228.0       6.3
     229.0     100.0
     230.0       7.8
     231.0      47.3
     232.0       3.7
     233.0      10.1
     262.0       5.3
     264.0       8.2
     266.0       5.1
     268.0       1.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₃ Cl₅	0.05 ml : 0.5 ml CDCl₃
alpha,alpha,alpha,3,4-pentachlorotoluene

    Assign.     Shift(ppm)

      A             8.011
      B             7.743
      C             7.493

     Hz     ppm     Int.

   3202.88   8.015    949
   3200.32   8.008    965
   3197.88   8.002     28
   3197.63   8.002     28
   3100.46   7.758    516
   3097.90   7.752    487
   3091.80   7.737    605
   3089.23   7.730    582
   2998.90   7.504   1000
   2990.23   7.483    863
      0.00   0.001    394

in CDCl3