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网站主页CAS数据库列表 6624-49-3更多图谱异喹啉-3-甲酸(6624-49-3)红外图谱(IR1)

异喹啉-3-甲酸

产品名称 异喹啉-3-甲酸

CAS号6624-49-3

分子式C10H7NO2

分子量173.17


  • Mass

    MS-IW-9207          
    3-isoquinolinecarboxylic acid
    C10H7NO2            (Mass of molecular ion:    173)
    

       Source Temperature: 150 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          17.0       2.8
          18.0      14.3
          27.0       1.4
          28.0       2.2
          37.0       1.2
          38.0       1.9
          39.0       3.8
          45.0       1.4
          49.0       1.3
          50.0      10.4
          50.5       1.3
          51.0      15.9
          52.0       3.9
          61.0       1.7
          62.0       3.6
          63.0       5.9
          64.0       7.2
          64.5       4.6
          74.0       6.7
          75.0      13.6
          76.0       9.5
          77.0      16.7
          78.0       3.6
          87.0       1.0
          88.0       1.0
          89.0       2.3
          90.0       1.0
          98.0       1.3
          99.0       1.8
         100.0       3.7
         101.0      18.9
         102.0      33.1
         103.0       5.9
         127.0       5.1
         128.0      30.4
         129.0     100.0
         130.0      10.2
         173.0      31.0
         174.0       4.4
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C10 H7 N O2 0.036 g : 0.5 ml DMSO-d6
    3-isoquinolinecarboxylic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.473 B 8.698 C *1 8.290 D *1 8.242 E 7.932 F 7.889 ASSIGNED BY C-H COSY.

         Hz     ppm     Int.
    

       3786.01   9.474   1000
       3476.41   8.699    971
       3317.72   8.302    330
       3316.96   8.300    324
       3309.63   8.282    373
       3298.03   8.253    345
       3289.95   8.233    376
       3179.47   7.956    172
       3178.10   7.953    198
       3172.61   7.939    356
       3171.39   7.936    378
       3170.17   7.933    211
       3164.67   7.919    350
       3163.15   7.915    319
       3159.79   7.907    343
       3158.26   7.903    380
       3152.77   7.889    218
       3151.55   7.886    378
       3150.48   7.884    344
       3144.84   7.869    170
       3143.46   7.866    158
    

in DMSO-d6



KBr disc



nujol mull