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喹啉-3-羧酸

CAS号6480-68-8

分子式C10H7NO2

分子量173.17

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  • Mass

    MS-NW-7168          
    3-quinolinecarboxylic acid
    C10H7NO2            (Mass of molecular ion:    173)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          17.0       1.8
          18.0       9.0
          27.0       1.1
          28.0       1.5
          37.0       1.3
          38.0       2.0
          39.0       2.7
          45.0       1.8
          49.0       1.3
          50.0       8.0
          50.5       1.1
          51.0       9.2
          52.0       2.1
          53.0       1.0
          61.0       1.5
          62.0       2.8
          63.0       4.5
          64.0       6.2
          64.5       1.0
          73.0       1.1
          74.0       6.4
          75.0      12.8
          76.0       5.3
          77.0       3.6
          77.5       2.2
          78.0       2.4
          86.5       4.2
          87.0       1.3
          89.0       2.8
          90.0       2.0
          98.0       1.2
          99.0       1.7
         100.0       3.4
         101.0      20.6
         102.0       4.9
         103.0       1.1
         117.0       1.2
         127.0      33.3
         128.0      43.9
         129.0       5.8
         144.0       1.5
         145.0       1.5
         155.0      32.2
         156.0      24.7
         157.0       3.2
         172.0       1.0
         173.0     100.0
         174.0      12.1
         175.0       1.1
    

90 MHz in DMSO-d6

400 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C10 H7 N O2 0.048 g : 0.5 ml DMSO-d6
    3-quinolinecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 9.398 C 9.017 D 8.23 E 8.14 F *1 7.95 G *1 7.75 D,E,F AND G WERE CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        842.87   9.412    920
        840.72   9.388   1000
        808.79   9.031    941
        808.30   9.026    949
        806.64   9.007    874
        741.70   8.282    431
        740.63   8.270    416
        739.84   8.261    428
        736.52   8.224    387
        734.28   8.199    925
        732.03   8.174    657
        728.13   8.131    751
        727.34   8.122    822
        726.56   8.113    750
        724.02   8.085    135
        722.46   8.067    106
        721.97   8.062    108
        719.82   8.038    495
        718.16   8.019    576
        715.92   7.994    123
        713.18   7.964    887
        711.52   7.945    661
        709.77   7.926    260
        707.91   7.905     92
        704.88   7.871    507
        703.03   7.850    431
        700.78   7.825    658
        699.22   7.808    592
        696.97   7.783    108
        696.09   7.773     98
        694.04   7.750    371
        692.77   7.736    520
        691.31   7.719    440
        688.09   7.684     70
        686.23   7.663    245
        684.67   7.645    220
    


  • 1H NMR 399.65 MHz
    C10 H7 N O2 0.039 g : 0.5 ml DMSO-d6
    3-quinolinecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 9.398 C 9.024 D 8.232 E 8.159 F 7.952 G 7.752

         Hz     ppm     Int.
    

       3756.84   9.401   1000
       3754.88   9.396    960
       3607.42   9.027    849
       3605.71   9.023    800
       3294.92   8.245    495
       3294.19   8.243    493
       3286.62   8.224    544
       3285.64   8.222    522
       3265.63   8.172    523
       3257.08   8.150    636
       3186.77   7.974    353
       3185.30   7.971    357
       3179.69   7.957    457
       3178.22   7.953    631
       3176.76   7.949    336
       3171.39   7.936    359
       3169.92   7.932    331
       3105.96   7.772    377
       3104.74   7.769    371
       3098.88   7.754    405
       3097.90   7.752    614
       3096.68   7.749    400
       3090.82   7.734    311
       3089.84   7.732    289
    

KBr disc



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