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网站主页CAS数据库列表 505-48-6更多图谱辛二酸(505-48-6)红外图谱(IR2)

辛二酸

产品名称 辛二酸

CAS号505-48-6

分子式C8H14O4

分子量174.19

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  • Mass

    MS-NW-4770          
    suberic acid
    C8H14O4             (Mass of molecular ion:    174)
    

       Source Temperature: 160 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       2.5
          17.0       1.0
          18.0       5.6
          26.0       2.4
          27.0      27.9
          28.0      10.2
          29.0      21.0
          30.0       1.2
          31.0       6.1
          38.0       1.1
          39.0      18.2
          40.0       3.3
          41.0      59.9
          42.0      14.6
          43.0      31.2
          44.0       1.4
          45.0      19.6
          51.0       1.3
          53.0       4.8
          54.0       6.1
          55.0      57.4
          56.0       9.8
          57.0       4.5
          58.0       3.8
          59.0       7.7
          60.0      79.1
          61.0       3.3
          66.0       1.0
          67.0       8.8
          68.0      30.0
          69.0      94.4
          70.0       6.5
          71.0       5.0
          73.0      36.1
          74.0       5.9
          79.0       2.1
          81.0       3.8
          82.0       9.8
          83.0      10.3
          84.0      15.0
          85.0       2.5
          86.0       1.6
          87.0      11.6
          93.0       1.7
          94.0       1.4
          95.0       1.2
          96.0       6.4
          97.0      81.7
          98.0       5.9
          99.0       3.6
         100.0      22.2
         101.0       4.0
         109.0       2.1
         110.0      23.0
         111.0       4.0
         112.0       2.3
         113.0       2.9
         114.0       3.3
         115.0      36.0
         116.0       2.5
         128.0      11.2
         129.0       1.2
         130.0       1.0
         137.0       1.8
         138.0     100.0
         139.0       8.8
         157.0       3.2
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H14 O4 0.044 g : 0.5 ml DMSO-d6
    suberic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.96 B 2.190 C 1.487 D 1.267

         Hz     ppm     Int.
    

       4780.64  11.963     99
        888.91   2.225     32
        888.54   2.224     31
        882.68   2.209    514
        875.35   2.191   1000
        868.03   2.172    518
        611.04   1.529     32
        610.68   1.529     33
        608.30   1.523     65
        607.93   1.522     66
        606.28   1.518     71
        601.52   1.506    195
        599.32   1.500    171
        594.19   1.487    277
        589.43   1.475    152
        589.06   1.474    151
        587.05   1.469    191
        580.64   1.453     58
        580.27   1.452     60
        579.72   1.451     62
        519.83   1.301     47
        518.91   1.299     47
        518.36   1.298     47
        512.68   1.283    225
        509.02   1.274    259
        508.29   1.272    250
        505.36   1.265    434
        501.88   1.256    219
        498.03   1.247    144
    

KBr disc



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