54932-72-8

5-溴-2-氯甲苯(54932-72-8)質(zhì)譜(MS)

產(chǎn)品名稱:5-溴-2-氯甲苯

CAS:54932-72-8

分子式:C7H6BrCl

分子量: 205.48

InChI:InChI=1S/C7H6BrCl/c1-5-4-6(8)2-3-7(5)9/h2-4H,1H3

InChIKey: OZFQMHJKAODEON-UHFFFAOYSA-N

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

Mass

MS-NW-6114          
5-bromo-2-chlorotoluene
C7H6BrCl            (Mass of molecular ion:    204)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      27.0       1.4
      36.0       1.4
      37.0       3.7
      38.0       5.5
      39.0      13.3
      40.0       1.4
      43.0       5.5
      43.5       1.8
      44.0      14.3
      44.5       3.3
      45.0       1.1
      49.0       2.8
      50.0       9.0
      51.0       7.4
      52.0       1.0
      60.0       1.3
      61.0       6.4
      62.0      15.8
      62.5       2.2
      63.0      27.6
      64.0       5.0
      65.0       3.6
      73.0       5.7
      74.0       5.2
      75.0       6.3
      76.0       1.0
      82.0       1.0
      84.0       6.5
      85.0       7.2
      86.0       4.7
      87.0       4.3
      88.0       2.5
      89.0      47.3
      90.0      19.3
      91.0       7.9
      97.0       1.6
      99.0       7.3
     101.0       2.4
     102.0       1.7
     103.0       2.0
     111.0       3.2
     113.0       1.0
     117.0       1.2
     119.0       1.3
     123.0       2.1
     124.0       4.8
     125.0      69.2
     126.0       7.1
     127.0      22.9
     128.0       2.1
     168.0       2.6
     169.0      32.9
     170.0       9.3
     171.0      31.5
     172.0       6.8
     203.0       4.5
     204.0      77.9
     205.0      11.7
     206.0     100.0
     207.0       9.4
     208.0      25.3
     209.0       2.4
     238.0       3.9
     240.0       1.3
     250.0       1.1
     252.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₆ Br Cl	0.05 ml : 0.5 ml CDCl₃
5-bromo-2-chlorotoluene

    Assign.     Shift(ppm)

      A             7.328
      B             7.207
      C             7.153
      D             2.311

     Hz     ppm     Int.

   2929.93   7.332    204
   2929.57   7.331    212
   2927.61   7.326    228
   2927.25   7.325    228
   2887.57   7.226     96
   2886.96   7.224     98
   2885.13   7.220     87
   2884.64   7.218     82
   2879.03   7.204    181
   2878.54   7.203    180
   2876.71   7.199    175
   2876.10   7.197    176
   2861.82   7.161    389
   2853.27   7.140    204
    923.58   2.311   1000

in CDCl3