88-09-5

2-乙基丁酸(88-09-5)红外图谱(IR1)

产品名称:2-乙基丁酸

CAS:88-09-5

分子式:C6H12O2

分子量: 116.16

InChI:InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

InChIKey: OXQGTIUCKGYOAA-UHFFFAOYSA-N

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

Mass

MS-NW-1290          
2-ethylbutyric acid
C6H12O2             (Mass of molecular ion:    116)

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

      15.0       1.9
      18.0       1.1
      26.0       2.2
      27.0      25.3
      28.0       6.6
      29.0      25.8
      31.0       1.8
      32.0       1.3
      38.0       1.5
      39.0      15.4
      40.0       2.3
      41.0      30.0
      42.0       5.9
      43.0     100.0
      44.0       3.1
      45.0       8.5
      53.0       2.2
      55.0      17.4
      56.0       1.4
      57.0       2.1
      59.0       1.7
      60.0       2.7
      68.0       1.0
      69.0       7.5
      70.0       3.8
      71.0      27.8
      72.0       1.5
      73.0      66.2
      74.0       3.7
      83.0       1.0
      87.0      32.4
      88.0      90.1
      89.0       4.5
     101.0       5.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
2-ethylbutyric acid

    Assign.     Shift(ppm)

      A            11.7
      B             2.220
      C             1.60
      D             0.95

     Hz     ppm     Int.

   1045.73  11.677     36
    207.90   2.322     47
    207.21   2.314     40
    200.72   2.242    106
    194.23   2.169     80
    187.05   2.089     47
    160.90   1.797     44
    158.76   1.773     30
    156.97   1.753     46
    153.89   1.719     64
    152.95   1.708    129
    150.31   1.679     86
    149.45   1.669    128
    146.97   1.642     94
    145.35   1.623    207
    142.36   1.590    178
    139.71   1.560     60
    137.92   1.540    180
    135.95   1.518    192
    130.57   1.458     82
    129.71   1.449     87
     91.43   1.021    511
     86.39   0.965     48
     84.51   0.944   1000
     76.90   0.859    289
     75.79   0.847    178

in CDCl3