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网站主页CAS数据库列表 331-39-5更多图谱咖啡酸(331-39-5)红外图谱(IR2)

咖啡酸

产品名称 咖啡酸

CAS号331-39-5

分子式C9H8O4

分子量180.16

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  • Mass

    MS-NW-0350          
    3,4-dihydroxycinnamic acid
    C9H8O4              (Mass of molecular ion:    180)
    

       Source Temperature: 180 °C
       Sample Temperature: 170 °C
       Direct, 75 eV
    

          18.0       3.3
          26.0       1.4
          27.0       5.5
          28.0       3.6
          29.0       2.3
          37.0       1.4
          38.0       3.2
          39.0       9.9
          40.0       1.3
          41.0       1.6
          43.0       2.0
          44.0      22.1
          44.5       1.8
          45.0       1.9
          49.0       1.1
          50.0       6.1
          51.0      12.5
          52.0       5.4
          53.0       5.3
          53.5       1.5
          54.0       1.3
          55.0       5.8
          61.0       1.5
          62.0       6.6
          63.0      11.7
          64.0       3.4
          65.0       2.4
          66.0       1.2
          67.0       4.5
          67.5       2.2
          68.0       2.5
          69.0       2.4
          74.0       1.7
          75.0       1.3
          76.0       1.7
          77.0      12.2
          78.0       7.4
          79.0       6.8
          80.0       1.5
          81.0       2.4
          81.5       1.9
          82.0       1.1
          87.0       1.4
          88.0       4.0
          89.0      26.5
          90.0       9.2
          91.0       1.7
          92.0       1.2
          93.0       1.3
          95.0       1.3
         105.0       3.5
         106.0       5.2
         107.0       8.0
         108.0       1.5
         110.0       5.6
         117.0       9.5
         118.0       2.5
         119.0       1.8
         120.0       1.0
         123.0       6.0
         126.0       1.3
         133.0       3.1
         134.0      33.9
         135.0      21.0
         136.0      63.1
         137.0       5.9
         138.0       1.7
         139.0       1.0
         144.0       1.0
         145.0       5.6
         151.0       1.2
         152.0       2.1
         161.5       1.1
         162.0       4.1
         162.5       5.8
         163.0      24.0
         164.0       2.9
         170.0       1.5
         179.0      14.6
         180.0     100.0
         181.0      10.1
         182.0       1.4
    

90 MHz in DMSO-d6


  • 1H NMR 89.56 MHz
    C9 H8 O4 0.038 g : 0.5 ml DMSO-d6
    3,4-dihydroxycinnamic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.417 B 7.03 C 7.00 D 6.781 E 6.195 F 6.2 J(A,E)=15.9HZ.

         Hz     ppm     Int.
    

        673.34   7.519    491
        657.42   7.341    660
        629.69   7.031   1000
        621.48   6.940    474
        619.73   6.920    384
        609.96   6.811    758
        602.05   6.723    365
        561.72   6.272    835
        545.80   6.095    649
    

KBr disc



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