ChemicalBook
English   Japanese   Germany   Korea
返回ChemicalBook首页>CAS数据库列表>96-17-3更多图谱> 2-甲基丁醛(96-17-3)核磁图(1HNMR)

96-17-3

2-甲基丁醛(96-17-3)核磁图(1HNMR)

产品名称:2-甲基丁醛

CAS:96-17-3

分子式:C5H10O

分子量: 86.13

InChI:InChI=1S/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3

InChIKey: BYGQBDHUGHBGMD-UHFFFAOYSA-N

Smiles:C(=O)C(C)CC

  • 图谱
    Mass

    MS-NW-2636          
    2-methylbutanal
    C5H10O              (Mass of molecular ion:     86)
    

       Source Temperature: 280 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          15.0       2.3
          18.0       2.3
          26.0       4.5
          27.0      31.1
          28.0       9.4
          29.0     100.0
          30.0       4.0
          31.0       1.7
          37.0       1.1
          38.0       1.9
          39.0      18.4
          40.0       2.7
          41.0      92.4
          42.0       5.8
          43.0      11.9
          44.0       3.8
          45.0       3.0
          50.0       1.4
          51.0       1.5
          53.0       3.6
          55.0       9.4
          56.0       7.8
          57.0      95.8
          58.0      60.0
          59.0       2.7
          67.0       1.1
          69.0       1.3
          70.0       2.3
          71.0       4.9
          73.0       1.8
          74.0      11.1
          85.0       1.8
          86.0       6.3
          87.0       3.2
    

90 MHz in CDCl3

  • 图谱

    1H NMR 89.56 MHz
    C5 H10 O 0.04 ml : 0.5 ml CDCl3
    2-methylbutanal
    ChemicalStructure
        Assign.     Shift(ppm)
    A 9.629 B 2.355 C *1 1.70 D *1 1.43 E 1.095 F 0.961

         Hz     ppm     Int.
    

        863.16   9.638    391
        861.25   9.617    391
        209.25   2.337     60
        208.59   2.330     49
        207.35   2.316     59
        206.69   2.308     49
        202.88   2.266     41
        202.29   2.259     76
        201.05   2.245     41
        200.39   2.238     73
        199.88   2.232     43
        195.48   2.183     50
        193.58   2.162     49
        166.33   1.858     36
        164.58   1.838     46
        158.35   1.769    100
        152.12   1.699     89
        150.81   1.684    113
        144.43   1.613     86
        143.85   1.607     70
        143.04   1.598     48
        141.65   1.582     90
        137.62   1.537     55
        135.94   1.518     60
        134.55   1.503    118
        127.66   1.426    115
        121.00   1.352     84
        113.82   1.271     45
        108.76   1.215     58
        101.22   1.131   1000
         94.26   1.053    801
         93.02   1.039    256
         92.14   1.029    401
         91.41   1.021    281
         84.67   0.946    720
         78.59   0.878    146
         77.56   0.867    232
         76.32   0.853    144
    

in CDCl3

  • 图谱

liquid film

  • 图谱

  • 图谱

×