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331-39-5

Caffeic acid

Product Name Caffeic acid

CAS331-39-5

MFC9H8O4

MW180.16

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  • 331-39-5_ms
    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

  • 331-39-5_1hnmr

    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

  • 331-39-5_ir1_2

nujol mull

  • 331-39-5_ir2