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网站主页CAS数据库列表 17696-11-6更多图谱8-溴辛酸(17696-11-6)核磁图(13CNMR)

8-溴辛酸

产品名称 8-溴辛酸

CAS号17696-11-6

分子式C8H15BrO2

分子量223.11

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  • Mass

    MS-IW-0558          
    8-bromooctanoic acid
    C8H15BrO2           (Mass of molecular ion:    222)
    

       Source Temperature: 140 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          27.0       8.3
          28.0       2.6
          29.0       7.2
          39.0       6.3
          40.0       1.2
          41.0      21.4
          42.0       4.9
          43.0      12.0
          45.0       5.9
          53.0       2.1
          54.0       1.8
          55.0      41.3
          56.0       3.5
          57.0       3.4
          59.0       3.3
          60.0     100.0
          61.0       7.2
          67.0       5.2
          68.0       1.8
          69.0       9.1
          70.0       1.1
          73.0      44.6
          74.0       4.7
          79.0       1.1
          81.0       4.1
          82.0       5.2
          83.0      44.3
          84.0       3.0
          85.0       1.1
          87.0       4.4
          95.0       1.3
          96.0       2.5
          97.0      17.9
          98.0       1.8
         101.0       2.4
         107.0       2.3
         109.0       2.1
         115.0       2.6
         121.0       1.0
         124.0       3.8
         125.0      86.7
         126.0       7.7
         135.0       1.3
         137.0       1.1
         143.0      37.8
         144.0       3.4
         162.0       3.7
         163.0      13.5
         164.0       4.2
         165.0      13.1
         179.0       1.9
         181.0       1.8
         193.0       2.1
         195.0       2.1
         205.0       1.1
         207.0       1.0
         223.0       1.5
         225.0       1.5
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C8 H15 Br O2 0.033 g : 0.5 ml CDCl3
    8-bromooctanoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 3.406 C 2.358 D 1.854 E 1.640 F 1.45 G 1.35

         Hz     ppm     Int.
    

       1368.43   3.425    490
       1361.59   3.407   1000
       1354.76   3.390    515
        950.47   2.379    375
        942.99   2.360    699
        935.51   2.341    423
        756.01   1.892     90
        749.18   1.875    262
        742.12   1.857    311
        734.43   1.838    281
        727.59   1.821    121
        671.82   1.682     46
        664.34   1.663    143
        657.08   1.645    218
        649.81   1.626    177
        644.90   1.614     46
        642.12   1.607     68
        591.48   1.480     53
        583.57   1.461    131
        577.80   1.446    169
        577.16   1.445    168
        571.82   1.431    114
        569.90   1.426    145
        565.62   1.416     57
        562.84   1.409     87
        559.64   1.401     59
        555.58   1.391     71
        553.44   1.385     91
        551.09   1.379    119
        545.96   1.367    232
        543.83   1.361    523
        540.19   1.352    392
        536.77   1.344    375
        533.57   1.336    212
        530.15   1.327     87
        528.65   1.323     74
        525.88   1.316     54
    

in CDCl3



KBr disc



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