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网站主页CAS数据库列表 7737-62-4更多图谱3-氧代庚酸乙酯(7737-62-4)红外图谱(IR1)

3-氧代庚酸乙酯

产品名称 3-氧代庚酸乙酯

CAS号7737-62-4

分子式C9H16O3

分子量172.22

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  • Mass

    MS-IW-2204          
    ethyl 3-oxoheptanoate
    C9H16O3             (Mass of molecular ion:    172)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          15.0       2.0
          26.0       1.7
          27.0      17.6
          28.0       6.2
          29.0      66.8
          30.0       1.8
          31.0       8.4
          39.0       6.9
          40.0       1.8
          41.0      30.7
          42.0      12.3
          43.0      42.4
          44.0       2.7
          45.0       7.4
          46.0       1.6
          53.0       1.7
          55.0      12.3
          56.0      13.1
          57.0      86.8
          58.0      11.7
          59.0       1.0
          60.0       8.7
          61.0       3.8
          69.0      11.8
          70.0       3.9
          71.0       1.9
          73.0       2.7
          83.0       3.2
          84.0      38.6
          85.0     100.0
          86.0       6.7
          87.0      15.4
          88.0      38.6
          89.0       2.0
          97.0       6.3
          98.0       1.6
         102.0      10.4
         103.0       1.0
         115.0      20.5
         116.0       1.2
         127.0       7.3
         130.0      55.4
         131.0       4.1
         143.0       8.9
         157.0       2.5
         172.0       7.3
         173.0       1.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C9 H16 O3 0.05 ml : 0.5 ml CDCl3
    ethyl 3-oxoheptanoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.189 B 3.445 C 2.552 D 1.577 E 1.34 F 1.278 G 0.909

         Hz     ppm     Int.
    

       1685.18   4.217    175
       1677.98   4.199    498
       1670.78   4.181    520
       1663.70   4.163    195
       1376.83   3.446    879
       1027.59   2.572    229
       1020.26   2.553    376
       1012.94   2.535    258
        646.24   1.618     60
        638.92   1.599    175
        636.60   1.593     55
        631.35   1.580    207
        629.15   1.575     92
        623.90   1.562    154
        621.83   1.556     62
        616.33   1.543     87
        550.17   1.377     45
        544.43   1.363     36
        542.72   1.358    121
        541.26   1.355     46
        536.87   1.344     85
        535.03   1.339    161
        529.54   1.326     86
        527.59   1.321    174
        522.34   1.307     44
        517.94   1.296    586
        515.38   1.290     30
        514.65   1.288     30
        510.74   1.278   1000
        508.30   1.272     45
        503.66   1.261    605
        370.48   0.928    418
        363.16   0.909    798
        355.83   0.891    380
    

in CDCl3



liquid film