6624-49-3

异喹啉-3-甲酸(6624-49-3)质谱(MS)

产品名称:异喹啉-3-甲酸

CAS: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

    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