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返回ChemicalBook首页>CAS数据库列表>1171-47-7更多图谱> 2,2-双(4-羧基苯基)六氟丙烷(1171-47-7)红外图谱(IR2)

1171-47-7

2,2-双(4-羧基苯基)六氟丙烷(1171-47-7)红外图谱(IR2)

分子式:C17H10F6O4

分子量: 392.25

InChI:InChI=1S/C17H10F6O4/c18-16(19,20)15(17(21,22)23,11-5-1-9(2-6-11)13(24)25)12-7-3-10(4-8-12)14(26)27/h1-8H,(H,24,25)(H,26,27)

InChIKey: PHQYMDAUTAXXFZ-UHFFFAOYSA-N

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

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    Mass

    MS-IW-1789          
    4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)dibenzoic acid
    C17H10F6O4          (Mass of molecular ion:    392)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          39.0       1.2
          44.0       1.1
          45.0       3.0
          50.0       2.0
          51.0       1.8
          63.0       1.3
          65.0       1.6
          69.0       1.0
          74.0       1.0
          75.0       1.8
          76.0       1.9
          81.0       1.0
          82.0       1.6
          87.0       1.0
          91.0       1.4
          91.5       2.1
          96.0       2.0
         100.0       1.2
         105.0       1.6
         106.0       1.2
         107.0       1.3
         115.0       1.6
         116.0       1.7
         130.5       1.0
         139.0       2.5
         144.5       1.9
         145.0       1.1
         152.0       2.2
         153.0       2.1
         157.0       1.0
         163.0       3.5
         164.0       3.7
         165.0      41.3
         166.0       9.3
         167.0       1.0
         171.0       1.6
         179.0       5.3
         179.5       1.0
         181.0       3.2
         182.0       2.6
         183.0      14.4
         184.0       2.3
         193.0       1.0
         195.0       1.4
         199.0       1.1
         201.0       1.4
         209.0       3.5
         211.0       1.5
         212.0       1.7
         213.0       1.8
         214.0      37.5
         215.0      36.3
         216.0       5.3
         227.0       1.8
         231.0       1.1
         232.0       4.7
         233.0       9.2
         234.0       3.5
         235.0       2.9
         258.0       3.9
         259.0       1.9
         261.0       3.5
         277.0       4.4
         278.0       2.2
         279.0       1.6
         283.0       6.6
         284.0       1.1
         295.0       1.5
         303.0      14.1
         304.0       3.0
         305.0       3.3
         306.0       1.5
         323.0      17.5
         324.0       3.2
         327.0       1.1
         329.0       2.4
         346.0       1.7
         347.0      30.6
         348.0       7.3
         349.0       1.0
         361.0       1.0
         373.0       4.7
         374.0       1.2
         375.0       9.1
         376.0       1.8
         391.0      27.3
         392.0     100.0
         393.0      18.9
         394.0       2.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C17 H10 F6 O4 0.034 g : 0.5 ml DMSO-d6
    4,4'-(2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)dibenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13.3 B 8.084 C 7.508

         Hz     ppm     Int.
    

       3235.60   8.097    884
       3233.68   8.092    325
       3228.55   8.079    326
       3226.63   8.074   1000
       3004.83   7.519    517
       2996.49   7.498    513
    

in DMSO-d6

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KBr disc

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nujol mull

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