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136-47-0

盐酸丁卡因(136-47-0)质谱(MS)

产品名称:盐酸丁卡因

CAS:136-47-0

分子式:C15H25ClN2O2

分子量: 300.82

InChI:InChI=1S/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H

InChIKey: PPWHTZKZQNXVAE-UHFFFAOYSA-N

Smiles:C1(C=CC(NCCCC)=CC=1)C(=O)OCCN(C)C.Cl

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    Mass

    MS-IW-9302          
    2-(dimethylamino)ethyl p-(butylamino)benzoate monohydrochloride
    C15H24N2O2 HCl      (Mass of molecular ion:    264)
    

       Source Temperature: 150 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          28.0       1.5
          29.0       1.9
          30.0       1.9
          36.0       6.8
          38.0       2.2
          41.0       1.3
          42.0       3.0
          43.0       2.2
          44.0       1.3
          56.0       2.4
          57.0       1.4
          58.0     100.0
          59.0       3.6
          65.0       1.7
          70.0       1.0
          71.0      76.6
          72.0       8.0
          77.0       1.1
          92.0       3.3
         104.0       1.2
         105.0       4.2
         106.0       1.2
         120.0       1.0
         150.0       7.0
         176.0       8.5
         177.0       1.1
         193.0       4.4
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C15 H24 N2 O2 0.041 g : 0.5 ml DMSO-d6
    2-(dimethylamino)ethyl p-(butylamino)benzoate monohydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A *1 11.2 B 7.794 C *1 6.71 D 6.605 E 4.535 F 3.482 J 3.067 K 2.832 L 1.537 M 1.375 N 0.909

         Hz     ppm     Int.
    

       3119.35   7.806    173
       3110.50   7.784    182
       2683.72   6.716     35
       2644.20   6.617    162
       2635.35   6.595    156
       1817.63   4.549     74
       1812.74   4.536     90
       1807.56   4.523     76
       1396.64   3.495     69
       1391.75   3.483     86
       1386.57   3.470     68
       1234.74   3.090     30
       1228.03   3.073     64
       1223.75   3.063     64
       1216.89   3.045     32
       1132.05   2.833   1000
        622.25   1.557     52
        614.78   1.539     81
        612.49   1.533     49
        607.60   1.521     63
        561.07   1.404     52
        553.44   1.385     78
        545.81   1.366     76
        538.64   1.348     43
        370.64   0.928    194
        363.31   0.910    390
        355.99   0.891    166
    

in DMSO-d6

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KBr disk

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nujol mull

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