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623-17-6

乙酸糠酯(623-17-6)质谱(MS)

产品名称:乙酸糠酯

CAS:623-17-6

分子式:C7H8O3

分子量: 140.14

InChI:InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3

InChIKey: CKOYRRWBOKMNRG-UHFFFAOYSA-N

Smiles:C1(OC=CC=1)COC(=O)C

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    Mass

    MS-NW-0538          
    furfuryl acetate
    C7H8O3              (Mass of molecular ion:    140)
    

       Source Temperature: 260 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          14.0       2.6
          15.0       8.6
          18.0       2.6
          26.0       2.5
          27.0      16.4
          28.0       3.4
          29.0       5.7
          37.0       1.6
          38.0       3.4
          39.0      10.9
          40.0       1.1
          41.0       7.9
          42.0       6.7
          43.0      58.9
          44.0       1.7
          45.0       2.3
          50.0       3.7
          51.0       7.6
          52.0      42.1
          53.0      33.7
          54.0       1.6
          55.0       1.8
          60.0       1.6
          61.0       1.9
          69.0       5.3
          70.0       3.7
          79.0       1.2
          80.0      21.8
          81.0     100.0
          82.0       5.7
          95.0       3.0
          97.0      12.2
          98.0      66.3
          99.0       3.9
         140.0      42.8
         141.0       3.4
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H8 O3 0.04 ml : 0.5 ml CDCl3
    furfuryl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.414 B 6.40 C 6.35 D 5.050 E 2.067 J(A,C)=1.8HZ. J(A,B)=1.0HZ. J(B,C)=3.3HZ. CONFIRMED BY LAOCN PROGRAM.

         Hz     ppm     Int.
    

        665.38   7.430    151
        664.38   7.419    201
        663.63   7.410    135
        662.63   7.399    162
        575.63   6.428     31
        574.63   6.417     33
        572.81   6.396     65
        572.38   6.392    170
        572.00   6.387     94
        571.38   6.380    147
        570.94   6.375    228
        569.19   6.356    158
        567.69   6.339     38
        565.94   6.320     43
        452.31   5.051    328
        185.19   2.068   1000
    

in CDCl3

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CCl4 solution

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liquid film

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