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111-80-8

辛炔羧酸甲酯(111-80-8)核磁图(13CNMR)

产品名称:辛炔羧酸甲酯

CAS:111-80-8

分子式:C10H16O2

分子量: 168.23

InChI:InChI=1S/C10H16O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-7H2,1-2H3

InChIKey: NTLJTUMJJWVCTL-UHFFFAOYSA-N

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

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    Mass

    MS-IW-7355          
    methyl 2-nonynoate
    C10H16O2            (Mass of molecular ion:    168)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0      11.6
          18.0       3.6
          26.0       2.9
          27.0      31.7
          28.0      12.3
          29.0      40.2
          30.0       2.1
          31.0       5.6
          32.0       3.8
          33.0       4.5
          37.0       2.0
          38.0       7.7
          39.0      38.9
          40.0       7.6
          41.0      76.0
          42.0      23.8
          43.0      81.4
          44.0       7.7
          45.0       3.9
          50.0       5.1
          51.0      12.6
          52.0      10.7
          53.0      25.9
          54.0       8.6
          55.0      51.7
          56.0       8.4
          57.0       3.3
          58.0       1.1
          59.0      32.7
          60.0       1.1
          61.0       2.3
          62.0       1.2
          63.0       3.1
          64.0       1.1
          65.0      11.8
          66.0      31.6
          67.0      73.8
          68.0      21.8
          69.0      45.5
          70.0       9.0
          71.0       5.2
          73.0       1.1
          74.0       4.2
          75.0       1.2
          77.0      16.2
          78.0       5.4
          79.0     100.0
          80.0      17.7
          81.0      40.1
          82.0      10.7
          83.0       4.4
          84.0       2.4
          85.0       6.4
          87.0       3.5
          91.0      10.1
          92.0       2.3
          93.0      35.3
          94.0      17.8
          95.0      15.8
          96.0       2.8
          97.0      14.9
          98.0      21.4
          99.0      15.0
         100.0      44.3
         101.0       3.1
         103.0       1.0
         105.0       2.3
         106.0       1.2
         107.0      30.4
         108.0      16.2
         109.0      37.6
         110.0       3.8
         111.0      23.1
         112.0       6.1
         113.0       7.5
         114.0       1.8
         117.0       1.1
         121.0      16.4
         122.0       1.7
         125.0      19.2
         126.0       3.9
         127.0       1.5
         135.0       5.2
         136.0       6.5
         137.0      56.7
         138.0       6.1
         139.0      20.5
         140.0       6.4
         153.0       7.7
         167.0       1.2
         169.0       1.4
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C10 H16 O2 0.05 ml : 0.5 ml CDCl3
    methyl 2-nonynoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.756 B 2.334 C 1.581 D 1.409 E 1.30 F 0.893

         Hz     ppm     Int.
    

       1501.22   3.757   1000
        940.31   2.353    192
        933.11   2.335    370
        926.03   2.318    202
        646.36   1.618     33
        639.28   1.600     95
        632.20   1.582    117
        631.47   1.581    122
        624.15   1.562    113
        616.82   1.544     49
        577.27   1.445     36
        572.02   1.432     37
        570.19   1.427     65
        568.36   1.423     62
        563.35   1.410     73
        562.50   1.408     75
        561.16   1.405     65
        557.74   1.396     45
        554.93   1.389     66
        547.73   1.371     37
        536.87   1.344     33
        530.88   1.329     67
        527.47   1.320     57
        524.17   1.312    132
        521.24   1.305    207
        517.82   1.296    148
        516.48   1.293    124
        514.04   1.287    115
        510.86   1.279     91
        506.96   1.269     46
        364.14   0.912    180
        357.30   0.895    422
        350.22   0.877    194
    

in CDCl3

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liquid film

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