96-17-3

2-甲基丁醛(96-17-3)红外图谱(IR1)

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

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

¹H NMR	89.56 MHz
C₅ H₁₀ O	0.04 ml : 0.5 ml CDCl₃
2-methylbutanal

    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