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返回ChemicalBook首页>CAS数据库列表>109705-14-8更多图谱> 1-氟-2,4,6-三甲基吡啶四氟化硼(109705-14-8)质谱(MS)

109705-14-8

1-氟-2,4,6-三甲基吡啶四氟化硼(109705-14-8)质谱(MS)

分子式:C8H11BF5N

分子量: 226.98

InChI:InChI=1S/C8H11FN.BF4/c1-6-4-7(2)10(9)8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1

InChIKey: RRNLYYDDEUOXBB-UHFFFAOYSA-N

Smiles:[N+]1(F)C(C)=CC(C)=CC=1C.[B-](F)(F)(F)F

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    Mass

    MS-IW-7206          
    1-fluoro-2,4,6-trimethylpyridinium tetrafluoroborate
    C8H11BF5N           (Mass of molecular ion:    227)
    

       Source Temperature: 180 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          18.0       1.4
          20.0       7.4
          27.0       4.7
          28.0       2.6
          33.0       1.2
          38.0       2.5
          39.0      12.8
          40.0       2.0
          41.0       3.7
          42.0       5.3
          48.0       7.8
          49.0      31.8
          50.0       3.2
          51.0       8.6
          52.0       4.7
          53.0       5.7
          54.0       1.1
          57.0       2.6
          59.0       1.3
          62.0       1.4
          63.0       4.1
          64.0       1.9
          65.0       4.5
          66.0       2.4
          67.0       1.2
          68.0       2.7
          70.0       1.1
          75.0       1.3
          76.0       1.1
          77.0      19.5
          78.0       7.2
          79.0      32.3
          80.0       5.7
          81.0       1.5
          83.0       1.4
          91.0       7.3
          92.0       4.3
          93.0       4.0
          94.0       1.7
          95.0       2.1
          96.0       1.7
          97.0      13.0
          98.0       3.2
         103.0       1.0
         104.0      16.6
         105.0       2.1
         106.0      19.2
         107.0       3.2
         109.0       1.7
         111.0       1.4
         117.0       1.1
         118.0       8.2
         119.0       2.7
         120.0      19.6
         121.0      71.4
         122.0       8.0
         124.0       5.9
         137.0       1.0
         138.0      10.7
         139.0     100.0
         140.0      10.2
         157.0       3.8
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C8 H11 B F5 N 0.041 g : 0.5 ml DMSO-d6
    1-fluoro-2,4,6-trimethylpyridinium tetrafluoroborate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.582 B 2.635 C 2.500

         Hz     ppm     Int.
    

       3030.27   7.583    228
       3029.79   7.582    226
       1053.22   2.636   1000
        998.78   2.500    493
    

in DMSO-d6

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KBr disc

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nujol mull

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