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298-81-7

8-Methoxypsoralen

Product Name 8-Methoxypsoralen

CAS298-81-7

MFC12H8O4

MW216.19

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  • 298-81-7_ms
    Mass 

    MS-NW-1990          
xanthotoxin
C12H8O4             (Mass of molecular ion:    216)


       Source Temperature: 200 °C
   Sample Temperature: 130 °C
   Direct, 75 eV


          15.0       1.3
      18.0       1.6
      28.0       2.0
      37.0       1.1
      38.0       1.6
      39.0       2.9
      43.0       1.2
      44.0       1.4
      44.5       4.7
      50.0       2.5
      51.0       4.9
      53.0       1.2
      61.0       1.4
      62.0       4.4
      63.0      10.9
      72.5       1.9
      74.0       1.9
      75.0       2.3
      77.0       1.3
      79.0       1.3
      86.0       1.2
      87.0       1.6
      88.0       1.9
      89.0      16.4
      90.0       1.5
     102.0       1.2
     108.0       2.2
     117.0       1.6
     129.0       1.5
     131.0       1.6
     145.0      13.2
     146.0       1.3
     158.0       1.6
     159.0       1.1
     160.0       1.1
     171.0       1.2
     173.0      36.0
     174.0       4.1
     187.0       2.3
     188.0       8.3
     189.0       1.0
     201.0      23.8
     202.0       3.0
     215.0       1.6
     216.0     100.0
     217.0      13.3
     218.0       1.6

90 MHz in CDCl3

  • 298-81-7_1hnmr

    1H NMR 89.56 MHz
    C12 H8 O4 0.031 g : 0.5 ml CDCl3
    xanthotoxin
    ChemicalStructure 
        Assign.     Shift(ppm)
    
      A             7.764
      B             7.689
      C             7.346
      D             6.818
      E             6.363
      F             4.293
     
     J(A,E)=9.6HZ. J(B,D)=2.2HZ.
  

         Hz     ppm     Int.


        700.19   7.819     70
    699.81   7.814     69
    690.56   7.711     78
    690.19   7.707     91
    689.81   7.703     90
    687.56   7.678     84
    657.81   7.345    104
    611.75   6.831    119
    609.50   6.806    114
    574.44   6.415     80
    574.06   6.410     85
    564.81   6.307     71
    564.44   6.303     68
    384.44   4.293   1000

KBr disc

  • 298-81-7_ir1

4880 A,200 M,powder

  • 298-81-7_raman

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