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625-16-1

叔戊醇醋酸酯(625-16-1)核磁图(13CNMR)

产品名称:叔戊醇醋酸酯

CAS:625-16-1

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3

InChIKey: JCCIFDCPHCKATH-UHFFFAOYSA-N

Smiles:CC(OC(=O)C)(C)CC

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    Mass

    MS-NW-5871          
    tert-pentyl acetate
    C7H14O2             (Mass of molecular ion:    130)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       5.6
          27.0       7.3
          28.0       1.1
          29.0       8.1
          31.0       2.9
          39.0       5.8
          41.0       8.6
          42.0       6.4
          43.0     100.0
          44.0       2.3
          45.0       1.6
          53.0       1.4
          55.0      24.6
          56.0       1.4
          59.0      26.5
          60.0       1.4
          70.0      29.2
          71.0      22.8
          72.0       1.5
          73.0      31.0
          74.0       1.5
         101.0      15.0
         115.0       5.5
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C7 H14 O2 0.04 ml : 0.5 ml CDCl3
    tert-pentyl acetate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 1.967 B 1.77 C 1.412 D 0.88

         Hz     ppm     Int.
    

        176.19   1.968    831
        162.44   1.814     60
        155.00   1.731     73
        148.19   1.655     24
        147.56   1.648     24
        128.38   1.434     22
        126.50   1.413   1000
         85.94   0.960     96
         78.88   0.881    207
         78.19   0.874    122
         71.06   0.794     63
         70.31   0.786     34
    

in CDCl3

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liquid film

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4880 A,200 M,liquid

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