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5912-87-8

ACETYLISOEUGENOL

Product Name ACETYLISOEUGENOL

CAS5912-87-8

MFC12H14O3

MW206.24

  • 5912-87-8_ms_1
    Mass

    MS-IW-5499          
    trans-2-methoxy-4-(1-propenyl)phenyl acetate
    C12H14O3            (Mass of molecular ion:    206)
    

       Source Temperature: 130 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          39.0       1.2
          43.0       4.5
          51.0       1.1
          55.0       2.5
          65.0       1.7
          77.0       3.3
          79.0       1.4
          91.0       4.1
         103.0       3.6
         104.0       3.2
         105.0       1.4
         107.0       1.5
         121.0       3.7
         131.0       6.7
         132.0       3.1
         133.0       5.4
         137.0       1.2
         147.0       1.5
         149.0      16.1
         150.0       1.6
         163.0       2.6
         164.0     100.0
         165.0      11.2
         166.0       1.0
         206.0      19.0
         207.0       2.6
    

400 MHz in CDCl3

  • 5912-87-8_1hnmr_1

    1H NMR 399.65 MHz
    C12 H14 O3 0.045 g : 0.5 ml CDCl3
    trans-2-methoxy-4-(1-propenyl)phenyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.937 B 6.918 C 6.884 D 6.351 E 6.180 F 3.817 G 2.291 J 1.865 J(D,E)=15.8HZ J(D,J)=-1.7HZ J(E,J)=6.5HZ

         Hz     ppm     Int.
    

       2777.71   6.951    103
       2769.65   6.931    199
       2765.75   6.921    108
       2763.92   6.916    135
       2755.00   6.894    102
       2753.17   6.889     78
       2746.95   6.874     50
       2745.00   6.869     43
       2548.83   6.378     38
       2547.36   6.374     38
       2533.20   6.339     58
       2531.49   6.335     60
       2479.49   6.205     91
       2472.90   6.188     91
       2463.75   6.165     59
       2457.15   6.149     60
       1525.76   3.818    764
        915.53   2.291   1000
        749.63   1.876    227
        747.92   1.872    228
        743.04   1.860    227
        741.33   1.855    227
    

in CDCl3

  • 5912-87-8_13cnmr_1

KBr disc

  • 5912-87-8_ir1_2

nujol mull

  • 5912-87-8_ir2_1

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