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99-92-3

4-氨基苯乙酮(99-92-3)核磁图(13CNMR)

产品名称:4-氨基苯乙酮

CAS:99-92-3

分子式:C8H9NO

分子量: 135.16

InChI:InChI=1S/C8H9NO/c1-6(10)7-2-4-8(9)5-3-7/h2-5H,9H2,1H3

InChIKey: GPRYKVSEZCQIHD-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1557          
    4'-aminoacetophenone
    C8H9NO              (Mass of molecular ion:    135)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          15.0       2.1
          18.0       1.7
          27.0       1.3
          28.0       1.9
          37.0       1.2
          38.0       3.5
          39.0      12.1
          40.0       1.3
          41.0       3.9
          42.0       1.4
          43.0       7.1
          45.5       1.1
          46.0       3.1
          50.0       2.5
          51.0       2.8
          52.0       4.4
          53.0       1.5
          53.5       2.2
          54.0       1.4
          60.0       2.1
          61.0       1.3
          62.0       2.4
          63.0       5.9
          64.0       4.8
          65.0      34.4
          66.0       5.3
          77.0       2.8
          78.0       1.0
          79.0       1.7
          91.0       3.6
          92.0      48.4
          93.0       4.2
         106.0       2.6
         119.0       1.0
         120.0     100.0
         121.0       8.4
         135.0      48.0
         136.0       4.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C8 H9 N O 0.047 g : 0.5 ml CDCl3
    4'-aminoacetophenone
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.789 B 6.634 C 4.31 D 2.490

         Hz     ppm     Int.
    

        704.69   7.869     26
        702.06   7.839    145
        700.06   7.817     50
        695.38   7.765     60
        693.25   7.741    164
        690.69   7.713     22
        600.63   6.707     33
        598.13   6.679    206
        596.00   6.655     61
        591.31   6.603     60
        589.25   6.580    168
        386.31   4.314     35
        223.06   2.491   1000
        220.13   2.458     28
    

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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