图谱信息 供应商 相关产品
网站主页CAS数据库列表 2964-09-2更多图谱苯甲酰氯化胆碱(2964-09-2)红外图谱(IR2)

苯甲酰氯化胆碱

产品名称 苯甲酰氯化胆碱

CAS号2964-09-2

分子式C12H18ClNO2

分子量243.73

展开


  • Mass

    MS-NW-9288          
    benzoylcholine chloride
    C12H18ClNO2         (Mass of molecular ion:    243)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          15.0       3.5
          17.0       1.6
          18.0       8.8
          27.0       1.7
          28.0       2.8
          29.0       1.6
          30.0       5.7
          39.0       1.1
          41.0       1.1
          42.0       9.5
          43.0       3.8
          44.0       3.0
          49.0       1.7
          50.0      21.6
          51.0       7.7
          52.0       6.7
          55.0       1.3
          56.0       6.3
          57.0       1.8
          58.0     100.0
          59.0       4.6
          70.0       2.3
          71.0      25.7
          72.0       1.8
          76.0       1.0
          77.0      17.0
          78.0       1.5
         105.0      19.0
         106.0       1.5
         122.0       9.7
    

400 MHz in DMSO-d6

90 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C12 H18 Cl N O2 0.039 g : 0.5 ml DMSO-d6
    benzoylcholine chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.037 B 7.711 C 7.578 D 4.752 E 3.973 F 3.309

         Hz     ppm     Int.
    

       3215.45   8.046    118
       3208.37   8.028    131
       3207.03   8.025    108
       3090.45   7.733     27
       3082.89   7.714     68
       3075.56   7.696     46
       3074.34   7.693     29
       3035.64   7.596     92
       3027.71   7.576    139
       3020.02   7.557     63
       1899.54   4.754     63
       1897.71   4.749     62
       1592.16   3.984     71
       1590.45   3.980     67
       1587.77   3.973     71
       1585.21   3.967     64
       1583.25   3.962     67
       1332.52   3.335     23
       1322.39   3.309   1000
    


  • 1H NMR 89.56 MHz
    C12 H18 Cl N O2 0.043 g : 0.5 ml DMSO-d6
    benzoylcholine chloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.02 B 7.66 C 7.60 D 4.74 E 3.94 F 3.288

         Hz     ppm     Int.
    

        724.06   8.085     70
        722.44   8.067     87
        720.88   8.050     35
        720.44   8.045     32
        716.38   7.999     94
        714.38   7.977    120
        692.00   7.727     38
        691.25   7.719     44
        687.00   7.671     54
        685.13   7.650     98
        684.13   7.639    111
        683.56   7.633    124
        681.94   7.615     51
        679.25   7.585     37
        677.75   7.568     44
        676.69   7.556     80
        676.25   7.551     88
        670.25   7.484     31
        422.75   4.721     44
        357.56   3.993     60
        355.75   3.973     48
        353.13   3.943     54
        350.75   3.917     45
        350.56   3.915     45
        348.50   3.892     47
        294.44   3.288   1000
    

in DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder