802-93-7

1,3-双（六氟-羟异丙基）苯(802-93-7)核磁图(¹HNMR)

产品名称:1,3-双（六氟-羟异丙基）苯

CAS:802-93-7

分子式:C12H6F12O2

分子量: 410.16

InChI:InChI=1S/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-2-1-3-6(4-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H

InChIKey: PGUIOHNOYADLMU-UHFFFAOYSA-N

Smiles:C(O)(C(F)(F)F)(C(F)(F)F)C1C=CC=C(C(O)(C(F)(F)F)C(F)(F)F)C=1

¹HNMR

IR1

Mass

MS-IW-2190          
2,2'-(m-phenylene)bis(1,1,1,3,3,3-hexafluoro-2-propanol)
C12H6F12O2          (Mass of molecular ion:    410)

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

      28.0       1.6
      50.0       2.6
      51.0       3.1
      52.0       2.2
      66.0      16.1
      66.5       1.5
      69.0      33.2
      75.0       2.6
      76.0       4.0
      77.0       7.1
      78.0       1.5
      91.0       2.5
      91.5       1.1
      95.0       1.7
      97.0       7.2
     101.0       3.1
     102.0       1.9
     104.0       2.4
     105.0      14.1
     106.0       1.5
     107.0       1.2
     119.0       1.1
     123.0       3.6
     125.0       1.2
     126.0       1.3
     127.0       7.7
     136.0       1.3
     137.0       1.9
     138.0       1.2
     139.0       1.0
     145.0       7.7
     147.0       2.6
     154.0       2.2
     156.0       1.2
     157.0       2.8
     173.0       2.8
     174.0       1.8
     175.0       4.8
     177.0       2.9
     185.0       2.0
     187.0       1.2
     195.0       4.0
     201.0       3.5
     205.0       5.3
     207.0       5.2
     223.0       7.9
     225.0       1.0
     227.0       5.0
     235.0       1.3
     243.0       2.9
     253.0       1.7
     254.0       2.8
     271.0     100.0
     272.0      11.6
     273.0       2.5
     275.0       1.9
     293.0       2.2
     323.0       7.1
     324.0       1.2
     341.0      94.1
     342.0      11.5
     343.0       1.6
     353.0      10.9
     354.0       1.4
     371.0       3.0
     373.0       7.7
     374.0       1.1
     410.0      15.5
     411.0       2.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₂ H₆ F₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
2,2'-(m-phenylene)bis(1,1,1,3,3,3-hexafluoro-2-propanol)

    Assign.     Shift(ppm)

      A             8.168
      B             7.849
      C             7.550
      D             3.72

     Hz     ppm     Int.

   3264.28   8.168    376
   3141.85   7.862    397
   3140.87   7.860    398
   3132.69   7.839    465
   3025.02   7.570    306
   3024.54   7.568    348
   3020.75   7.559     24
   3016.72   7.549    529
   3012.82   7.539     28
   3008.91   7.529    241
   3008.42   7.528    276
   1485.11   3.717   1000

liquid film