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622-45-7

乙酸环己酯(622-45-7)Raman光谱

产品名称:乙酸环己酯

CAS:622-45-7

分子式:C8H14O2

分子量: 142.2

InChI:InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3

InChIKey: YYLLIJHXUHJATK-UHFFFAOYSA-N

Smiles:C(OC1CCCCC1)(=O)C

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    Mass

    MS-NW-0020          
    cyclohexyl acetate
    C8H14O2             (Mass of molecular ion:    142)
    

       Source Temperature: 200 °C
       Sample Temperature:  65 °C
       Reservoir, 75 eV
    

          15.0       3.7
          18.0       1.5
          27.0       5.6
          28.0       2.3
          29.0       4.5
          39.0       6.3
          40.0       1.0
          41.0      13.4
          42.0       2.1
          43.0     100.0
          44.0       4.1
          53.0       2.2
          54.0      19.2
          55.0      15.6
          56.0       2.2
          57.0       9.0
          58.0       7.5
          59.0       1.3
          61.0       8.6
          67.0      58.5
          68.0       3.5
          71.0       3.7
          72.0       1.2
          79.0       1.4
          81.0       8.0
          82.0      80.2
          83.0       9.7
          99.0       4.5
         100.0       4.9
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C8 H14 O2 0.05 ml : 0.5 ml CDCl3
    cyclohexyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.735 B 2.027 C 1.85 D 1.72 E 1.55 F 1.41 G 1.35 J 1.25

         Hz     ppm     Int.
    

       1902.22   4.760     31
       1897.83   4.749     39
       1893.07   4.737     59
       1888.92   4.727     47
        813.48   2.036     60
        810.30   2.028   1000
        745.00   1.865     69
        738.77   1.849     73
        734.38   1.838     88
        696.90   1.744     67
        694.21   1.738     78
        688.48   1.723     71
        685.06   1.715     57
        683.96   1.712     57
        625.85   1.566     34
        616.33   1.543     34
        615.23   1.540     34
        614.38   1.538     33
        613.40   1.535     38
        578.00   1.447     30
        566.89   1.419     67
        564.82   1.414     62
        555.91   1.391    151
        553.10   1.384     76
        550.66   1.378     61
        547.36   1.370    141
        545.65   1.366    146
        538.70   1.348     55
        536.01   1.342     76
        533.20   1.335     42
        525.27   1.315     39
        504.27   1.262     31
        503.30   1.260     32
        502.08   1.257     30
    

in CDCl3

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liquid film

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4880 A,100M,liquid

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