1095-77-8

2,2-雙(4-甲基苯基)六氟丙烷(1095-77-8)核磁圖(¹HNMR)

產(chǎn)品名稱:2,2-雙(4-甲基苯基)六氟丙烷

CAS:1095-77-8

分子式:C17H14F6

分子量: 332.28

InChI:InChI=1S/C17H14F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChIKey: OWEIAGSMFHSSES-UHFFFAOYSA-N

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

¹HNMR

IR1

IR2

Mass

MS-IW-2143          
1,1,1,3,3,3-hexafluoro-2,2-di(p-tolyl)propane
C17H14F6            (Mass of molecular ion:    332)

   Source Temperature: 120 °C
   Sample Temperature: 100 °C
   Direct, 75 eV

      27.0       1.3
      39.0       4.2
      41.0       1.0
      50.0       1.0
      51.0       2.8
      63.0       3.4
      65.0       5.0
      69.0       1.4
      75.0       1.3
      76.0       1.6
      77.0       1.3
      82.0       1.2
      82.5       1.6
      83.0       1.9
      89.0       6.5
      91.0       4.5
      94.5       1.3
      95.0       1.6
      95.5       2.5
      96.0      11.3
      96.5       3.9
      97.0       3.1
      98.0       2.5
     107.0       1.0
     114.0       1.3
     115.0       1.3
     120.0       2.4
     120.5       4.6
     121.0       1.7
     121.5       2.2
     123.0       1.0
     130.0       1.7
     131.0       1.3
     139.0       1.1
     141.0       1.9
     151.0       2.6
     152.0       2.6
     153.0       1.0
     155.0       1.6
     156.0       1.7
     164.0       1.4
     165.0       3.5
     166.0       1.5
     176.0       1.6
     177.0       2.0
     178.0      14.9
     179.0      29.2
     180.0       4.7
     183.0       2.9
     189.0       1.9
     190.0       1.0
     191.0       3.3
     192.0       3.5
     193.0      14.3
     194.0       7.7
     195.0       1.6
     196.0       2.0
     197.0       2.9
     201.0       1.1
     207.0       1.0
     210.0       1.0
     214.0       1.1
     223.0       1.9
     225.0       1.3
     227.0       3.2
     228.0      26.5
     229.0       4.8
     232.0       1.0
     233.0       3.8
     241.0       1.1
     242.0       3.3
     243.0      22.7
     244.0       4.6
     245.0       1.0
     246.0       1.2
     247.0       4.1
     248.0      11.5
     249.0       1.8
     261.0       1.8
     262.0       2.4
     263.0     100.0
     264.0      17.5
     265.0       1.5
     297.0       1.6
     313.0       6.3
     314.0       1.2
     317.0      22.1
     318.0       3.9
     331.0       6.0
     332.0      77.9
     333.0      14.6
     334.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₇ H₁₄ F₆	0.037 g : 0.5 ml CDCl₃
1,1,1,3,3,3-hexafluoro-2,2-di(p-tolyl)propane

    Assign.     Shift(ppm)

      A             7.271
      B             7.159
      C             2.359

     Hz     ppm     Int.

   2910.77   7.284    145
   2902.47   7.263    208
   2864.62   7.168    295
   2856.57   7.148    217
    942.75   2.359   1000

KBr disc

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2,2-雙(4-甲基苯基)六氟丙烷(1095-77-8)核磁圖(1HNMR)

2,2-雙(4-甲基苯基)六氟丙烷(1095-77-8)核磁圖(¹HNMR)