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2-十一炔酸乙酯(10519-17-2)核磁图(1HNMR)

产品名称:2-十一炔酸乙酯

CAS:10519-17-2

分子式:C13H22O2

分子量: 210.31

InChI:InChI=1S/C13H22O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-10H2,1-2H3

InChIKey: WVNHQHYIPXYFQX-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C#CCCCCCCCC


  • Mass

    MS-IW-7363          
    ethyl 2-undecynoate
    C13H22O2            (Mass of molecular ion:    210)
    

       Source Temperature: 240 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       2.1
          18.0       3.1
          26.0       5.4
          27.0      43.6
          28.0      17.3
          29.0      79.3
          30.0       2.6
          31.0       3.1
          32.0       1.3
          38.0       4.1
          39.0      34.4
          40.0       6.7
          41.0      83.3
          42.0      15.4
          43.0      74.3
          44.0       7.7
          45.0       8.2
          47.0       8.4
          50.0       2.5
          51.0       8.6
          52.0       7.9
          53.0      21.1
          54.0      13.5
          55.0      99.4
          56.0      17.9
          57.0      37.6
          58.0       2.1
          59.0       1.0
          60.0       1.1
          61.0       2.3
          63.0       1.8
          64.0       1.0
          65.0       9.9
          66.0      29.7
          67.0      80.7
          68.0      22.3
          69.0      27.0
          70.0       9.1
          71.0       5.5
          73.0       3.7
          77.0      16.0
          78.0       4.9
          79.0      74.9
          80.0      30.0
          81.0     100.0
          82.0      16.5
          83.0      11.8
          84.0      27.7
          85.0      10.1
          86.0      42.5
          87.0       2.7
          88.0       3.7
          89.0       1.3
          91.0      11.3
          92.0       2.7
          93.0      37.6
          94.0      22.8
          95.0      54.1
          96.0       8.6
          97.0      28.7
          98.0      11.9
          99.0      13.1
         100.0       3.5
         101.0       2.8
         102.0       1.1
         105.0       4.1
         106.0       1.1
         107.0      29.4
         108.0      15.2
         109.0      12.9
         110.0       3.6
         111.0      20.9
         112.0      15.1
         113.0       9.7
         114.0      44.3
         115.0       4.5
         117.0       1.4
         119.0       1.9
         120.0       1.5
         121.0      22.2
         122.0      21.7
         123.0       7.3
         124.0       1.5
         125.0      39.1
         126.0      17.2
         127.0      10.0
         128.0       3.3
         133.0       1.0
         135.0      19.1
         136.0       7.7
         137.0      11.3
         138.0       1.7
         139.0      24.5
         140.0       9.8
         141.0       2.4
         142.0       2.5
         149.0       1.8
         151.0       1.0
         153.0      19.2
         154.0      12.0
         155.0       1.6
         163.0       4.1
         164.0       2.1
         165.0      69.4
         166.0       8.8
         167.0       9.3
         168.0       5.9
         181.0       4.9
         182.0       1.9
         211.0       1.3
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C13 H22 O2 0.05 ml : 0.5 ml CDCl3
    ethyl 2-undecynoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 4.213 B 2.325 C 1.579 D 1.40 E 1.305 F 1.28 G 0.885

         Hz     ppm     Int.
    

       1694.58   4.241    162
       1687.50   4.223    476
       1680.30   4.205    471
       1673.22   4.187    168
        936.77   2.344    230
        929.57   2.326    461
        922.36   2.308    243
        646.24   1.618     39
        639.28   1.600    115
        636.60   1.593     41
        631.59   1.581    149
        624.27   1.563    135
        616.94   1.544     58
        572.39   1.433     30
        566.41   1.418     70
        566.04   1.417     70
        564.82   1.414     69
        560.30   1.402     82
        558.96   1.399     82
        557.50   1.395     84
        551.76   1.381     64
        545.17   1.365     31
        535.89   1.341     31
        528.69   1.323    564
        521.61   1.306   1000
        518.92   1.299    211
        514.40   1.288    784
        510.99   1.279    419
        359.99   0.901    163
        353.15   0.884    516
        346.07   0.866    197
    

in CDCl3



liquid film



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