20443-98-5

2,6-二氯苄基溴(20443-98-5)核磁图(¹³CNMR)

产品名称:2,6-二氯苄基溴

CAS:20443-98-5

分子式:C7H5BrCl2

分子量: 239.92

InChI:InChI=1S/C7H5BrCl2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

InChIKey: PDFGFQUSSYSWNI-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC(Cl)=C1CBr

Mass

MS-NW-7264          
alpha-bromo-2,6-dichlorotoluene
C7H5BrCl2           (Mass of molecular ion:    238)

   Source Temperature: 220 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      37.0       1.9
      38.0       2.0
      39.0       4.2
      43.0       2.9
      43.5       1.1
      44.0       3.8
      49.0       1.3
      50.0       3.2
      51.0       2.3
      61.0       5.0
      61.5       4.1
      62.0       9.8
      62.5       1.5
      63.0      12.4
      73.0       5.9
      74.0       1.1
      75.0       2.1
      79.5       5.7
      80.5       3.6
      84.0       1.2
      85.0       1.5
      86.0       2.3
      87.0       3.1
      88.0       1.4
      89.0      13.5
      90.0       1.0
      97.0       2.3
      99.0       2.9
     101.0       1.2
     123.0      11.5
     124.0       5.9
     125.0       4.9
     126.0       2.0
     133.0       2.5
     135.0       1.6
     159.0     100.0
     160.0       8.1
     161.0      62.9
     162.0       5.3
     163.0      10.2
     238.0       4.2
     240.0       6.5
     242.0       2.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₅ Br Cl₂	0.039 g : 0.5 ml CDCl₃
alpha-bromo-2,6-dichlorotoluene

    Assign.     Shift(ppm)

      A             7.321
      B             7.185
      C             4.758

     Hz     ppm     Int.

   2930.54   7.333    352
   2922.61   7.313    558
   2878.42   7.203    239
   2870.97   7.184    197
   2869.75   7.181    181
   2862.30   7.163    139
   1901.86   4.759   1000

in CDCl3