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10522-18-6

2-十一炔酸甲酯(10522-18-6)质谱(MS)

产品名称:2-十一炔酸甲酯

CAS:10522-18-6

分子式:C12H20O2

分子量: 196.29

InChI:InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-9H2,1-2H3

InChIKey: YPUZOJRRZPRXNV-UHFFFAOYSA-N

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

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    Mass

    MS-IW-7362          
    methyl 2-undecynoate
    C12H20O2            (Mass of molecular ion:    196)
    

       Source Temperature: 230 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0      11.6
          18.0       2.9
          26.0       2.4
          27.0      32.9
          28.0      12.5
          29.0      52.4
          30.0       2.3
          31.0       4.0
          32.0       2.8
          33.0       4.5
          37.0       1.0
          38.0       5.1
          39.0      35.6
          40.0       7.0
          41.0      85.7
          42.0      19.5
          43.0      67.7
          44.0       4.5
          45.0       4.1
          50.0       3.3
          51.0      10.2
          52.0       8.8
          53.0      24.3
          54.0      14.0
          55.0      96.6
          56.0      19.9
          57.0      45.1
          58.0       2.6
          59.0      29.1
          60.0       1.0
          61.0       1.9
          63.0       2.4
          64.0       1.0
          65.0      11.2
          66.0      27.3
          67.0      59.9
          68.0      22.4
          69.0      30.6
          70.0       8.7
          71.0       4.8
          73.0       1.3
          74.0       7.9
          75.0       2.8
          77.0      19.8
          78.0       6.7
          79.0     100.0
          80.0      42.1
          81.0      85.0
          82.0      14.9
          83.0       8.1
          84.0       3.3
          85.0       6.2
          87.0       6.3
          88.0       1.3
          91.0      14.7
          92.0       3.5
          93.0      52.9
          94.0      26.9
          95.0      42.1
          96.0       7.3
          97.0      15.3
          98.0      22.2
          99.0      16.7
         100.0      78.0
         101.0       5.6
         102.0       1.2
         103.0       1.1
         105.0       4.3
         106.0       1.4
         107.0      39.1
         108.0      19.9
         109.0      10.9
         110.0       2.4
         111.0      33.7
         112.0       7.8
         113.0      17.7
         114.0       5.3
         115.0       1.9
         117.0       1.8
         119.0       1.5
         120.0       1.6
         121.0      33.1
         122.0      20.1
         123.0       5.7
         124.0       1.7
         125.0      22.6
         126.0       8.0
         127.0       3.7
         128.0       3.3
         129.0       1.1
         135.0      15.3
         136.0       6.4
         137.0       8.9
         138.0       1.6
         139.0      25.3
         140.0      15.9
         141.0       3.0
         149.0       1.8
         153.0      18.9
         154.0       7.9
         155.0       1.2
         163.0       1.0
         164.0       1.5
         165.0      46.6
         166.0       5.8
         167.0       6.0
         168.0       1.4
         197.0       1.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C12 H20 O2 0.05 ml : 0.5 ml CDCl3
    methyl 2-undecynoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.755 B 2.329 C 1.577 D 1.40 E 1.28 F 0.882

         Hz     ppm     Int.
    

       1500.73   3.756   1000
        938.11   2.348    161
        930.91   2.330    315
        923.83   2.312    167
        638.67   1.599     78
        630.98   1.579    102
        629.03   1.574     47
        623.66   1.561     92
        616.33   1.543     39
        566.28   1.417     47
        564.58   1.413     46
        560.18   1.402     54
        558.96   1.399     55
        558.72   1.399     55
        557.37   1.395     56
        551.76   1.381     42
        528.44   1.323     40
        521.73   1.306    109
        514.16   1.287    262
        512.33   1.282    267
        510.74   1.278    276
        359.74   0.901    114
        353.03   0.884    355
        345.95   0.866    132
    

in CDCl3

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liquid film

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