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91-21-4

1,2,3,4-四氢异喹啉(91-21-4)红外图谱(IR1)

产品名称:1,2,3,4-四氢异喹啉

CAS:91-21-4

分子式:C9H11N

分子量: 133.19

InChI:InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2

InChIKey: UWYZHKAOTLEWKK-UHFFFAOYSA-N

Smiles:C1C2=C(C=CC=C2)CCN1

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    Mass

    MS-NW-3091          
    1,2,3,4-tetrahydroisoquinoline
    C9H11N              (Mass of molecular ion:    133)
    

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

          27.0       2.5
          28.0       1.5
          38.0       1.1
          39.0       4.4
          50.0       3.5
          51.0       7.9
          52.0       3.5
          53.0       1.3
          58.5       1.8
          63.0       2.8
          64.0       1.4
          64.5       3.1
          65.0       5.3
          65.5       4.9
          66.0       1.8
          66.5       2.4
          74.0       1.5
          75.0       1.8
          76.0       2.3
          77.0      11.1
          78.0       7.2
          79.0       3.5
          89.0       1.8
          90.0       2.1
          91.0       7.6
         102.0       3.3
         103.0       4.5
         104.0       8.5
         105.0       5.5
         106.0       2.3
         115.0       3.9
         116.0       1.1
         117.0      16.5
         118.0      23.4
         119.0       2.0
         128.0       1.9
         129.0       8.4
         130.0      12.4
         131.0       4.5
         132.0     100.0
         133.0      92.9
         134.0       9.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H11 N 0.05 ml : 0.5 ml CDCl3
    1,2,3,4-tetrahydroisoquinoline
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.10 to 7.07 B *1 7.04 C *1 6.95 D 3.935 E 3.060 F 2.733 G 2.21

         Hz     ppm     Int.
    

       2843.38   7.115     50
       2840.94   7.109     67
       2838.99   7.104     62
       2836.06   7.097    433
       2833.62   7.091    235
       2831.05   7.084    477
       2829.47   7.080    273
       2827.39   7.075    512
       2826.54   7.073    546
       2823.85   7.066     99
       2822.14   7.062    122
       2821.41   7.060    120
       2819.70   7.056     84
       2819.34   7.055     84
       2816.04   7.047    283
       2812.99   7.039    201
       2812.26   7.037    214
       2811.77   7.036    213
       2809.81   7.031    108
       2809.20   7.030     89
       2807.37   7.025    127
       2807.01   7.024    129
       2785.89   6.971     49
       2785.03   6.969     50
       2782.35   6.962    223
       2780.52   6.958    139
       2779.30   6.955    116
       2777.83   6.951    214
       2776.61   6.948    179
       2773.93   6.941    157
       2773.44   6.940    160
       1581.18   3.957     31
       1572.63   3.936    948
       1229.13   3.076    528
       1223.02   3.061   1000
       1217.04   3.046    636
       1098.39   2.749    313
       1092.41   2.734    525
       1086.43   2.719    277
        882.08   2.208    173
    

in CDCl3

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liquid film

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