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94-09-7

苯佐卡因(94-09-7)ESR图谱

产品名称:苯佐卡因

CAS:94-09-7

分子式:C9H11NO2

分子量: 165.19

InChI:InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3

InChIKey: BLFLLBZGZJTVJG-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C1=CC=C(N)C=C1

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    Mass

    MS-NW-3786          
    ethyl p-aminobenzoate
    C9H11NO2            (Mass of molecular ion:    165)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       2.9
          28.0       1.2
          29.0       2.4
          38.0       1.6
          39.0       6.1
          41.0       1.8
          45.0       1.5
          52.0       1.7
          60.0       1.0
          63.0       2.7
          64.0       2.4
          65.0      17.2
          66.0       2.6
          91.0       2.3
          92.0      21.7
          93.0       4.4
         108.0       1.5
         120.0     100.0
         121.0      11.4
         137.0      14.5
         138.0       1.2
         150.0       1.4
         165.0      42.8
         166.0       4.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H11 N O2 0.043 g : 0.5 ml CDCl3
    ethyl p-aminobenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.849 B 6.626 C 4.305 D 4.1 E 1.354

         Hz     ppm     Int.
    

        709.94   7.927     72
        707.50   7.900    350
        705.56   7.879    117
        703.06   7.851     46
        702.75   7.847     47
        700.81   7.826    153
        700.69   7.824    153
        698.75   7.803    384
        696.25   7.775     54
        599.81   6.698     82
        597.38   6.671    500
        595.31   6.648    146
        592.38   6.615     43
        592.00   6.611     44
        590.63   6.595    154
        588.56   6.572    401
        586.06   6.544     59
        396.88   4.432    136
        393.75   4.397     41
        389.63   4.351    431
        387.19   4.324     45
        386.75   4.319     47
        386.19   4.313     49
        382.50   4.271    450
        380.63   4.251     42
        379.88   4.242     41
        379.06   4.233     42
        375.50   4.193    182
        369.00   4.121    105
        128.13   1.431    468
        125.88   1.406     50
        125.50   1.402     46
        124.63   1.392     52
        124.13   1.386     57
        121.06   1.352   1000
        119.00   1.329     63
        118.63   1.325     62
        118.19   1.320     53
        116.38   1.300     51
        113.94   1.273    416
    

in CDCl3

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CCl4 solution

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KBr disc

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nujol mull

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4880 A,200 M,powder

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OXIDATION WITH PERBENZOIC ACID IN DIOXANE

OXIDATION WITH PBA IN ETHANOL

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