2,4,5-三氟溴苯(327-52-6)質(zhì)譜(MS)

產(chǎn)品名稱:2,4,5-三氟溴苯

CAS:327-52-6

分子式:C6H2BrF3

分子量: 210.98

InChI:InChI=1S/C6H2BrF3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H

InChIKey: DVTULTINXNWGJY-UHFFFAOYSA-N

Smiles:C1(Br)=CC(F)=C(F)C=C1F

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-8557          
1-bromo-2,4,5-trifluorobenzene
C6H2BrF3            (Mass of molecular ion:    210)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      31.0      13.1
      36.0       1.1
      37.0       4.5
      49.0       1.3
      50.0       2.7
      55.0       1.5
      56.0       4.7
      57.0       2.5
      60.0       1.2
      61.0      10.5
      62.0       9.4
      68.0       5.0
      74.0       2.3
      75.0       5.9
      79.0       3.8
      80.0      10.4
      81.0      79.1
      82.0       4.3
      86.0       2.7
      87.0       2.4
      92.0       3.3
      93.0       1.4
      99.0       5.5
     105.0       3.8
     106.0       3.7
     111.0       3.2
     112.0       5.8
     130.0       6.9
     131.0      76.8
     132.0       5.0
     210.0     100.0
     211.0       6.9
     212.0      97.9
     213.0       6.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₂ Br F₃	0.05 ml : 0.5 ml CDCl₃
1-bromo-2,4,5-trifluorobenzene

    Assign.     Shift(ppm)

      A             7.377
      B             7.017

     Hz     ppm     Int.

    673.56   7.521    634
    670.13   7.483    110
    667.19   7.450    734
    664.94   7.425    933
    658.56   7.354    950
    656.25   7.328    814
    652.00   7.281    178
    650.13   7.260    825
    645.63   7.209    111
    645.06   7.203    109
    644.50   7.197    108
    643.19   7.182    102
    640.88   7.156    778
    637.19   7.115    139
    636.44   7.107    137
    634.06   7.080    885
    633.00   7.068    968
    630.94   7.045    899
    626.19   6.992    878
    624.13   6.969    951
    623.13   6.958   1000
    616.25   6.881    791
    610.63   6.819     68

in CDCl3