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网站主页CAS数据库列表 619-21-6更多图谱3-羧基苯甲醛(619-21-6)质谱(MS)

3-羧基苯甲醛

产品名称 3-羧基苯甲醛

CAS号619-21-6

分子式C8H6O3

分子量150.13

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  • Mass

    MS2014-05113CW      
    isophthalaldehydic acid
    C8H6O3              (Mass of molecular ion:    150)
    

       Source Temperature: 250 °C
       Sample Temperature:  20 °C
       Direct, 70 eV
    

          17.0       1.2
          18.0       5.6
          28.0       2.0
          29.0       1.1
          37.0       1.0
          38.0       1.7
          39.0       4.1
          45.0       1.1
          50.0       9.3
          51.0      12.2
          52.0       2.0
          53.0       1.1
          63.0       1.0
          65.0      21.2
          66.0       2.0
          73.0       1.2
          74.0       5.7
          75.0       5.8
          76.0       6.6
          77.0      14.8
          78.0       1.5
          93.0       6.0
         103.0       2.1
         104.0       1.2
         105.0      14.0
         106.0       1.2
         121.0      29.4
         122.0       3.0
         133.0       7.2
         134.0       1.1
         149.0     100.0
         150.0      70.6
         151.0       6.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H6 O3 0.035 g : 0.5 ml DMSO-d6
    isophthalaldehydic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 13. B 10.128 C 8.477 D 8.273 E 8.167 F 7.765

         Hz     ppm     Int.
    

       4047.85  10.129   1000
       3389.89   8.483    249
       3388.18   8.478    447
       3386.72   8.475    260
       3312.01   8.288    160
       3310.55   8.284    236
       3309.08   8.280    153
       3304.20   8.268    176
       3302.98   8.265    259
       3301.27   8.261    168
       3269.53   8.181    156
       3268.31   8.178    250
       3266.85   8.175    150
       3261.96   8.163    186
       3260.50   8.159    263
       3259.03   8.155    157
       3111.33   7.786    213
       3103.52   7.766    396
       3095.95   7.747    186
    



KBr disk



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