2043-55-2

1,1,2,2-四氢全氟己基碘(2043-55-2)质谱(MS)

产品名称:1,1,2,2-四氢全氟己基碘

CAS:2043-55-2

分子式:C6H4F9I

分子量: 373.99

InChI:InChI=1S/C6H4F9I/c7-3(8,1-2-16)4(9,10)5(11,12)6(13,14)15/h1-2H2

InChIKey: CXHFIVFPHDGZIS-UHFFFAOYSA-N

Smiles:C(F)(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9145          
1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane
C6H4F9I             (Mass of molecular ion:    374)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      20.0       1.2
      26.0       3.8
      27.0      38.1
      28.0      10.9
      31.0       7.5
      32.0       1.3
      33.0      12.6
      38.0       1.1
      39.0       5.7
      45.0       1.3
      47.0       9.2
      50.0       1.5
      51.0      70.6
      56.0       1.3
      57.0       5.9
      59.0       8.0
      64.0       2.1
      65.0      45.6
      66.0       1.0
      69.0     100.0
      70.0       1.3
      75.0       5.3
      76.0       1.5
      77.0      50.5
      78.0       7.0
      83.0       1.6
      89.0       4.8
      93.0       1.6
      95.0      19.3
     100.0       6.7
     101.0       1.0
     107.0       1.3
     108.0       6.5
     109.0       8.9
     113.0      17.9
     115.0       7.6
     119.0      24.7
     127.0      29.2
     128.0      34.2
     131.0       8.1
     133.0       1.7
     137.0       2.3
     139.0       3.8
     140.0       1.0
     141.0      55.4
     145.0      10.5
     151.0       1.1
     154.0       2.7
     155.0      19.6
     157.0      12.8
     158.0       1.2
     159.0       3.8
     163.0      18.5
     169.0       5.1
     175.0       1.6
     177.0      31.2
     178.0       1.7
     181.0       9.0
     195.0       2.5
     203.0       2.3
     205.0       5.4
     207.0      14.6
     208.0       2.7
     227.0      75.2
     228.0       5.0
     247.0       2.6
     374.0      63.5
     375.0       4.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ F₉ I	0.05 ml : 0.5 ml CDCl₃
1,1,1,2,2,3,3,4,4-nonafluoro-6-iodohexane

    Assign.     Shift(ppm)

      A             3.245
      B             2.720

     Hz     ppm     Int.

   1306.27   3.269    880
   1297.85   3.248    730
   1295.90   3.243    534
   1289.31   3.227   1000
   1110.96   2.780    164
   1109.62   2.777    120
   1104.25   2.764    123
   1102.66   2.760    168
   1093.63   2.737    388
   1085.21   2.716    310
   1076.05   2.693    368
   1070.68   2.680     70
   1069.21   2.676    126
   1067.75   2.672    168
   1062.62   2.659     37
   1062.26   2.658     38
   1060.42   2.654     93
   1058.96   2.650    139
   1057.62   2.647     87

in CDCl3