1,1,1,3,3,3-六氟異丙基丙烯酸酯(2160-89-6)核磁圖(¹³CNMR)

產(chǎn)品名稱:1,1,1,3,3,3-六氟異丙基丙烯酸酯

CAS:2160-89-6

分子式:C6H4F6O2

分子量: 222.09

InChI:InChI=1S/C6H4F6O2/c1-2-3(13)14-4(5(7,8)9)6(10,11)12/h2,4H,1H2

InChIKey: MNSWITGNWZSAMC-UHFFFAOYSA-N

Smiles:C(OC(C(F)(F)F)C(F)(F)F)(=O)C=C

Mass

MS-IW-2186          
2,2,2-trifluoro-1-(trifluoromethyl)ethyl acrylate
C6H4F6O2            (Mass of molecular ion:    222)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       5.6
      27.0      36.4
      28.0       1.0
      29.0       2.5
      51.0       2.6
      53.0       1.6
      54.0       1.0
      55.0     100.0
      56.0       4.5
      69.0      17.9
      82.0       1.2
     113.0       1.8
     151.0       1.3
     158.0       2.9
     183.0       5.7
     203.0       1.4
     222.0       4.9

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₄ F₆ O₂	0.05 ml : 0.5 ml CDCl₃
2,2,2-trifluoro-1-(trifluoromethyl)ethyl acrylate

    Assign.     Shift(ppm)

      A             6.642
      B             6.241
      C             6.101
      D             5.864
     
     J(A,B)=17.3HZ
     J(A,C)=1.0HZ
     J(B,C)=10.5HZ
     J(D,F-19)=6.1HZ

     Hz     ppm     Int.

   2664.43   6.667    725
   2663.45   6.665    786
   2647.22   6.624    890
   2646.24   6.622    946
   2508.30   6.277    728
   2497.68   6.250    977
   2494.63   6.243     34
   2494.26   6.242     34
   2491.09   6.234    542
   2484.01   6.216     31
   2480.47   6.207    845
   2443.36   6.114    967
   2442.26   6.111   1000
   2432.74   6.088    686
   2431.76   6.085    729
   2362.06   5.911     44
   2355.96   5.896    230
   2349.85   5.880    554
   2346.19   5.871     62
   2343.75   5.865    720
   2340.21   5.856     55
   2337.65   5.850    554
   2334.35   5.841     33
   2331.42   5.834    235
   2325.32   5.819     45

in CDCl3