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543-87-3

硝酸异戊酯(543-87-3)红外图谱(IR1)

产品名称:硝酸异戊酯

CAS:543-87-3

分子式:C5H11NO3

分子量: 133.15

InChI:InChI=1S/C5H11NO3/c1-5(2)3-4-9-6(7)8/h5H,3-4H2,1-2H3

InChIKey: NTHGIYFSMNNHSC-UHFFFAOYSA-N

Smiles:C(O[N+]([O-])=O)CC(C)C

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    Mass

    MS-NW-1309          
    isopentyl nitrate
    C5H11NO3            (Mass of molecular ion:    133)
    

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

          14.0       1.3
          15.0       5.4
          17.0       2.4
          18.0      11.2
          26.0       2.8
          27.0      29.5
          28.0      14.3
          29.0      59.4
          30.0      43.1
          31.0      10.5
          37.0       1.2
          38.0       2.7
          39.0      23.9
          40.0       4.4
          41.0     100.0
          42.0      22.0
          43.0      49.6
          44.0      10.3
          45.0       6.0
          46.0      33.2
          51.0       1.2
          53.0       3.1
          54.0       2.7
          55.0      17.1
          56.0      10.1
          57.0      65.1
          58.0       4.3
          59.0       1.4
          60.0       1.2
          67.0       1.1
          68.0       2.2
          69.0      10.7
          70.0       9.6
          71.0       6.6
          72.0       3.0
          73.0       1.6
          76.0      32.7
          85.0       1.4
          86.0       1.7
          99.0       2.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C5 H11 N O3 0.04 ml : 0.5 ml CDCl3
    isopentyl nitrate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.482 B 2.01 to 1.45 C 0.96

         Hz     ppm     Int.
    

        408.00   4.556    147
        401.31   4.481    250
        394.69   4.407    138
        157.56   1.760     42
        156.75   1.751     31
        153.13   1.710     98
        150.63   1.682    100
        149.69   1.672     73
        146.88   1.641    225
        144.00   1.608     87
        142.75   1.594     43
        141.31   1.578     73
        140.25   1.566    143
        134.38   1.501     48
        132.94   1.485     31
         88.31   0.987   1000
         85.50   0.955    149
         82.50   0.922    834
    

in CDCl3

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CCl4 solution

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liquid film

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4880 A,200 M,liquid

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