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网站主页CAS数据库列表 530-57-4更多图谱丁香酸(530-57-4)质谱(MS)

丁香酸

产品名称 丁香酸

CAS号530-57-4

分子式C9H10O5

分子量198.17

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  • Mass

    MS-NW-2350          
    4-hydroxy-3,5-dimethoxybenzoic acid
    C9H10O5             (Mass of molecular ion:    198)
    

       Source Temperature: 230 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          15.0       5.2
          17.0       2.3
          18.0      10.9
          27.0       1.6
          28.0       8.7
          29.0       2.9
          31.0       1.1
          37.0       1.7
          38.0       4.2
          39.0       9.8
          40.0       2.0
          41.0       2.6
          42.0       1.2
          43.0       2.5
          44.0       3.5
          45.0       2.4
          49.0       1.1
          50.0       5.6
          51.0       6.4
          52.0       2.1
          53.0       6.0
          55.0       2.8
          61.0       1.0
          62.0       1.4
          63.0       1.3
          65.0       7.1
          66.0       4.3
          67.0       7.2
          68.0       1.7
          69.0       3.5
          71.0       2.4
          77.0       2.7
          78.0       2.3
          79.0       6.0
          81.0       6.4
          82.0       1.4
          84.0       5.6
          93.0       6.5
          94.0       1.1
          95.0       2.9
          96.0       1.2
          97.0       4.3
         107.0       1.3
         108.0       2.2
         109.0      14.6
         110.0       2.3
         111.0       2.5
         112.0       4.3
         123.0       3.5
         125.0       1.3
         127.0      19.2
         128.0       1.3
         135.0       1.4
         137.0       4.8
         138.0       1.8
         139.0       1.6
         140.0       3.1
         141.0       1.0
         151.0       1.9
         152.0       2.2
         153.0       3.9
         154.0       1.9
         155.0       7.9
         168.0       1.3
         181.0       6.2
         182.0       1.2
         183.0      29.5
         184.0       2.7
         197.0       1.3
         198.0     100.0
         199.0       9.8
         200.0       1.5
         212.0       1.0
    

90 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C9 H10 O5 0.036 g : 0.5 ml DMSO-d6
    4-hydroxy-3,5-dimethoxybenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.2 B 7.230 C 3.823 D 3.8

         Hz     ppm     Int.
    

        648.12   7.237    411
        342.70   3.827   1000
        336.77   3.761     26
        335.89   3.751     26
    

DMSO-d6



KBr disc



nujol mull



4880 A,200 M,powder