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24425-40-9

5-氨基茚旦(24425-40-9)核磁图(13CNMR)

产品名称:5-氨基茚旦

CAS:24425-40-9

分子式:C9H11N

分子量: 133.19

InChI:InChI=1S/C9H11N/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3,10H2

InChIKey: LEWZOBYWGWKNCK-UHFFFAOYSA-N

Smiles:C1C2=C(C=C(N)C=C2)CC1

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    Mass

    MS-NW-6313          
    5-indanamine
    C9H11N              (Mass of molecular ion:    133)
    

       Source Temperature: 270 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          27.0       2.0
          28.0       2.2
          30.0       1.1
          39.0       4.0
          41.0       1.2
          50.0       1.9
          51.0       4.6
          52.0       2.9
          53.0       1.9
          54.0       1.9
          62.0       1.0
          63.0       2.4
          64.5       2.7
          65.0       6.3
          65.5       7.0
          66.0       2.7
          66.5       1.9
          76.0       1.0
          77.0       6.5
          78.0       2.6
          79.0       2.7
          89.0       1.4
          91.0       2.7
          93.0       1.2
         102.0       1.1
         103.0       3.6
         104.0       3.4
         105.0       4.8
         106.0       4.8
         115.0      10.1
         116.0       2.5
         117.0      10.6
         118.0       2.3
         130.0       9.5
         131.0       5.9
         132.0     100.0
         133.0      77.7
         134.0       7.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H11 N 0.040 g : 0.5 ml CDCl3
    5-indanamine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.982 B 6.571 C 6.474 D 3.48 E 2.789 F 2.303

         Hz     ppm     Int.
    

        630.00   7.035    143
        622.25   6.948    188
        621.81   6.943    184
        589.56   6.583    160
        589.13   6.579    157
        588.06   6.567    220
        587.50   6.560    218
        584.00   6.521    212
        582.50   6.505     87
        581.75   6.496    110
        576.19   6.434    140
        574.63   6.417     71
        573.94   6.409    103
        312.13   3.486   1000
        258.31   2.885    155
        257.38   2.874    171
        250.94   2.802    463
        246.75   2.756     64
        243.94   2.724    275
        243.19   2.716    273
        195.44   2.183     84
        194.13   2.168     94
        188.56   2.106    159
        187.25   2.091    235
        184.63   2.062     47
        181.75   2.030     95
        180.25   2.013    328
        173.25   1.935    220
        171.50   1.915     50
    

in CDCl3

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KBr disc

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liquid film

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nujol mull

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