間溴氟苯(1073-06-9)質(zhì)譜(MS)

產(chǎn)品名稱:間溴氟苯

CAS:1073-06-9

分子式:C6H4BrF

分子量: 175

InChI:InChI=1S/C6H4BrF/c7-5-2-1-3-6(8)4-5/h1-4H

InChIKey: QDFKKJYEIFBEFC-UHFFFAOYSA-N

Smiles:C1(Br)=CC=CC(F)=C1

¹HNMR

IR1

Raman

Mass

MS-NW-6461          
m-bromofluorobenzene
C6H4BrF             (Mass of molecular ion:    174)

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

      31.0       2.4
      37.0       3.5
      38.0       3.2
      39.0       1.5
      47.0       1.4
      49.0       2.5
      50.0      11.9
      51.0       4.6
      57.0       1.6
      61.0       2.2
      62.0       2.3
      63.0       2.0
      68.0       6.4
      69.0       6.6
      73.0       1.7
      74.0       6.8
      75.0      31.1
      76.0       2.7
      87.0       2.9
      88.0       2.5
      92.0       1.5
      93.0       2.5
      94.0       7.9
      95.0     100.0
      96.0       6.8
     111.0       2.0
     174.0      69.9
     175.0       5.9
     176.0      68.1
     177.0       4.9
     254.0       1.5

parameter in TMS

¹H NMR	300 MHz
C₆ H₄ Br F	10 mol% in TMS
m-bromofluorobenzene

    Parameter     ppm  Hz

      D(A)         7.141
      D(B)         6.856
      D(C)         7.032
      D(D)         7.163
       J(A,B)          2.51
       J(A,C)          0.24
       J(A,D)          1.76
       J(A,X)          8.38
       J(B,C)          8.28
       J(B,D)          0.90
       J(B,X)          8.31
       J(C,D)          8.06
       J(C,X)          5.99
       J(D,X)         -0.46
     
     LOEMKER,J.E. ET AL. J.PHYS.CHEM. 72, 991 (1968)

     Hz     ppm     Int.

   2154.78   7.183    241
   2153.10   7.177    387
   2151.87   7.173    359
   2148.65   7.162    308
   2147.05   7.157    711
   2146.12   7.154    857
   2144.85   7.149   1000
   2140.23   7.134    336
   2138.43   7.128    395
   2137.76   7.126    393
   2136.03   7.120    279
   2120.80   7.069    307
   2118.26   7.061     50
   2114.36   7.048    393
   2112.49   7.042    446
   2111.20   7.037    149
   2106.23   7.021    438
   2104.20   7.014    213
   2098.46   6.995    266
   2066.45   6.888    229
   2065.42   6.885    236
   2063.98   6.880    228
   2062.95   6.876    216
   2058.37   6.861    327
   2057.08   6.857    347
   2056.05   6.853    357
   2054.72   6.849    359
   2050.26   6.834    190
   2049.04   6.830    172
   2047.66   6.826    194
   2046.47   6.822    155

liquid film