116-53-0

2-甲基丁酸(116-53-0)红外图谱(IR1)

产品名称:2-甲基丁酸

CAS:116-53-0

分子式:C5H10O2

分子量: 102.13

InChI:InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)

InChIKey: WLAMNBDJUVNPJU-UHFFFAOYSA-N

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

Mass

MS-NW-1414          
(+-)-2-methylbutyric acid
C5H10O2             (Mass of molecular ion:    102)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.8
      18.0       1.6
      26.0       3.8
      27.0      23.5
      28.0      10.5
      29.0      57.5
      30.0       3.9
      31.0       1.7
      38.0       1.3
      39.0      12.0
      40.0       1.5
      41.0      53.9
      42.0       3.2
      43.0       3.7
      45.0       8.8
      50.0       1.0
      51.0       1.1
      53.0       1.6
      55.0       7.7
      56.0      10.5
      57.0      83.4
      58.0       4.0
      59.0       1.8
      60.0       1.2
      69.0       4.1
      73.0      14.8
      74.0     100.0
      75.0       3.7
      85.0       1.5
      87.0      25.0
      88.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₀ O₂	0.04 ml : 0.5 ml CDCl₃
(+-)-2-methylbutyric acid

    Assign.     Shift(ppm)

      A            11.5
      B             2.40
      C          2.00 to 1.32
      D             1.183
      E             0.95

     Hz     ppm     Int.

    226.10   2.525     51
    219.09   2.447    104
    212.34   2.371    126
    205.51   2.295     86
    157.65   1.761     49
    156.46   1.747     83
    150.31   1.679     44
    149.45   1.669     82
    148.77   1.662    102
    147.66   1.649     53
    146.55   1.637     78
    141.76   1.583    127
    141.08   1.576     59
    140.73   1.572     58
    139.79   1.561     95
    139.37   1.557     99
    134.75   1.505     55
    132.70   1.482    127
    126.21   1.410     60
    109.12   1.219   1000
    102.11   1.141    832
     92.80   1.037    144
     92.03   1.028    305
     91.35   1.020    221
     84.59   0.945    582
     82.20   0.918     71
     78.19   0.874     96
     77.42   0.865    185
     76.31   0.853    120

in CDCl3