13697-89-7

2,6-二氟碘苯(13697-89-7)質(zhì)譜(MS)

產(chǎn)品名稱:2,6-二氟碘苯

CAS:13697-89-7

分子式:C6H3F2I

分子量: 239.99

InChI:InChI=1S/C6H3F2I/c7-4-2-1-3-5(8)6(4)9/h1-3H

InChIKey: VQMXWPLTZBKNEH-UHFFFAOYSA-N

Smiles:C1(F)=CC=CC(F)=C1I

¹HNMR

¹³CNMR

IR1

Mass

MS2009-04020CW      
1,3-difluoro-2-iodobenzene
C6H3F2I             (Mass of molecular ion:    240)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      28.0       1.7
      31.0       1.5
      37.0       1.5
      50.0       1.8
      56.0       1.0
      57.0       1.4
      61.0       2.8
      62.0       5.3
      63.0      28.9
      64.0       1.6
      68.0       4.7
      69.0       2.0
      74.0       3.7
      75.0       1.2
      81.0       2.8
      86.0       1.0
      87.0       2.3
      92.0       2.4
      93.0       6.8
      94.0       3.0
     112.0       5.4
     113.0      57.5
     114.0       3.8
     120.0       5.1
     127.0       5.8
     240.0     100.0
     241.0      15.6

in CDCl3

parameter in CDCl3

¹H NMR	300 MHz
C₆ H₃ F₂ I	in CDCl₃
1,3-difluoro-2-iodobenzene

    Parameter     ppm  Hz

      D(A)         6.83
      D(B)         7.25
       J(A,A')         1.2
       J(A,B)          8.4
       J(A,X)          7.4
       J(A,X')        -1.3
       J(A',B)         8.4
       J(A',X)        -1.3
       J(A',X')        7.4
       J(B,X)          6.4
       J(B,X')         6.4
       J(X,X')         2.3
     
     ABRAHAM,R.J. & MACDONALD,D.B. J.CHEM.SOC. B 1967, 835

     Hz     ppm     Int.

   2190.06   7.300    171
   2183.47   7.278    391
   2181.88   7.273    281
   2181.49   7.272    276
   2177.13   7.257    212
   2175.09   7.250    693
   2173.29   7.244    256
   2169.25   7.231    228
   2168.39   7.228    226
   2166.75   7.222    425
   2160.50   7.202    223
   2059.36   6.865    180
   2058.08   6.860    230
   2056.05   6.853    947
   2050.59   6.835    737
   2049.27   6.831    879
   2047.68   6.826   1000
   2041.88   6.806    792
   2039.86   6.800    230
   2038.43   6.795    157

in CDCl3