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104-10-9

对氨基苯乙醇(104-10-9)质谱(MS)

产品名称:对氨基苯乙醇

CAS:104-10-9

分子式:C8H11NO

分子量: 137.18

InChI:InChI=1S/C8H11NO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,10H,5-6,9H2

InChIKey: QXHDYMUPPXAMPQ-UHFFFAOYSA-N

Smiles:C1(CCO)=CC=C(N)C=C1

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    Mass

    MS-NW-4677          
    p-aminophenethyl alcohol
    C8H11NO             (Mass of molecular ion:    137)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       1.0
          28.0       1.9
          31.0       1.4
          39.0       2.2
          51.0       2.1
          52.0       1.9
          53.0       1.8
          63.0       1.1
          65.0       1.7
          66.0       1.0
          77.0       7.6
          78.0       3.1
          79.0       4.3
          80.0       1.3
          91.0       1.2
          93.0       1.7
         104.0       1.6
         106.0     100.0
         107.0       8.5
         118.0       1.1
         119.0       1.4
         137.0      17.6
         138.0       1.6
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H11 N O 0.053 g : 0.5 ml CDCl3
    p-aminophenethyl alcohol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.998 B 6.640 C 3.765 D 2.9 E 2.744

         Hz     ppm     Int.
    

        631.94   7.057    493
        629.88   7.034    209
        625.69   6.987    227
        623.44   6.962    824
        621.63   6.941    145
        621.06   6.935    144
        600.50   6.706    135
        598.13   6.679   1000
        595.94   6.655    308
        594.19   6.635     66
        591.75   6.608    218
        589.63   6.584    604
        587.13   6.556     84
        344.44   3.846    418
        337.69   3.771    985
        331.31   3.700    596
        261.75   2.923     82
        257.06   2.871     82
        256.75   2.867     80
        256.38   2.863     82
        255.44   2.853     89
        255.00   2.848     85
        254.56   2.843     91
        253.94   2.836     95
        251.81   2.812    477
        248.56   2.776    122
        248.00   2.770    123
        245.31   2.740    777
        238.75   2.666    368
        236.50   2.641    105
        235.88   2.634     88
        235.31   2.628     78
        233.94   2.613     63
        233.38   2.606     62
    

in CDCl3

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KBr disc

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nujol mull

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