ChemicalBook
English   Japanese   Germany   Korea

111-12-6

辛酸甲酯(111-12-6)Raman光谱

产品名称:辛酸甲酯

CAS:111-12-6

分子式:C9H14O2

分子量: 154.21

InChI:InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3

InChIKey: FRLZQXRXIKQFNS-UHFFFAOYSA-N

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

  • 图谱
    Mass

    MS-IW-5090          
    methyl 2-octynoate
    C9H14O2             (Mass of molecular ion:    154)
    

       Source Temperature: 210 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          15.0       5.3
          26.0       1.4
          27.0      15.9
          28.0       4.9
          29.0      38.1
          30.0       1.1
          31.0       1.2
          37.0       1.4
          38.0       6.1
          39.0      25.2
          40.0       4.7
          41.0      49.6
          42.0      11.5
          43.0       8.8
          44.0       1.0
          45.0       2.4
          50.0       3.3
          51.0       7.0
          52.0       5.8
          53.0      23.1
          54.0       5.7
          55.0      59.1
          56.0      10.9
          57.0      15.6
          58.0       1.0
          59.0      26.7
          61.0       1.0
          63.0       2.0
          65.0       9.0
          66.0      29.7
          67.0      45.1
          68.0      17.6
          69.0      15.1
          70.0       4.0
          71.0       2.2
          73.0       1.2
          74.0       3.0
          77.0       9.4
          78.0       1.9
          79.0      48.4
          80.0      16.3
          81.0      23.5
          82.0       5.9
          83.0       3.2
          84.0       1.1
          85.0       6.7
          87.0       1.3
          91.0       4.9
          93.0      32.2
          94.0      24.3
          95.0     100.0
          96.0       9.4
          97.0      16.5
          98.0      18.8
          99.0      13.9
         100.0      17.9
         101.0       1.1
         107.0      11.0
         108.0       1.1
         109.0       1.4
         111.0      18.9
         112.0       5.8
         113.0       3.2
         121.0       8.6
         122.0      13.1
         123.0      72.9
         124.0       6.6
         125.0      16.5
         126.0       5.8
         139.0      13.6
         140.0       1.2
         153.0       3.0
         155.0       1.1
    

400 MHz in CDCl3

  • 图谱

    1H NMR 399.65 MHz
    C9 H14 O2 0.05 ml : 0.5 ml CDCl3
    methyl 2-octynoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.757 B 2.336 C 1.586 D 1.39 E 1.34 F 0.910

         Hz     ppm     Int.
    

       1501.71   3.758   1000
        941.04   2.355    217
        933.84   2.337    406
        926.76   2.319    231
        649.54   1.626     32
        642.82   1.609     93
        635.13   1.590    129
        627.69   1.571    121
        620.48   1.553     53
        565.31   1.415     69
        562.13   1.407     74
        558.11   1.397     82
        556.27   1.392     90
        553.71   1.386     73
        552.12   1.382     67
        549.80   1.376    102
        548.95   1.374    110
        546.51   1.368     86
        542.97   1.359    120
        542.24   1.357    117
        538.45   1.348     51
        536.62   1.343    110
        535.03   1.339    102
        531.01   1.329     52
        529.05   1.324     86
        528.44   1.323     83
        522.09   1.307     43
        521.24   1.305     42
        520.26   1.302     45
        370.36   0.927    285
        366.82   0.918     59
        363.16   0.909    480
        358.15   0.897     59
        355.96   0.891    210
    

in CDCl3

  • 图谱

liquid film

  • 图谱

  • 图谱

×