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返回ChemicalBook首页>CAS数据库列表>802-93-7更多图谱> 1,3-双(六氟-羟异丙基)苯(802-93-7)核磁图(1HNMR)

802-93-7

1,3-双(六氟-羟异丙基)苯(802-93-7)核磁图(1HNMR)

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

  • 图谱
    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

  • 图谱

    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)
    ChemicalStructure
        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

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