107-92-6

丁酸(107-92-6)核磁图(¹HNMR)

产品名称:丁酸

CAS:107-92-6

分子式:C4H8O2

分子量: 88.11

InChI:InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)

InChIKey: FERIUCNNQQJTOY-UHFFFAOYSA-N

Smiles:C(O)(=O)CCC

Mass

MS-IW-0362          
butyric acid
C4H8O2              (Mass of molecular ion:     88)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       1.5
      27.0      13.6
      28.0       4.1
      29.0       8.1
      38.0       1.1
      39.0       6.6
      40.0       1.2
      41.0      16.3
      42.0      14.0
      43.0      14.1
      45.0       9.9
      55.0       6.7
      60.0     100.0
      61.0       2.7
      69.0       1.3
      70.0       1.5
      71.0       2.9
      73.0      32.5
      74.0       1.2
      87.0       1.9
      88.0       2.6
      89.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₈ O₂	10.4 mol% in CDCl₃
butyric acid

    Assign.     Shift(ppm)

      A             0.983
      B             1.675
      C             2.334
      D            11.51

     Hz     ppm     Int.

   1030.50  11.507   1000
    217.38   2.428    203
    216.38   2.417    222
    209.88   2.344    367
    209.38   2.338    455
    202.75   2.264    331
    202.00   2.256    349
    168.00   1.876     49
    161.50   1.804     86
    160.50   1.793    127
    159.38   1.780     40
    154.50   1.726    106
    153.63   1.716    254
    152.63   1.705    146
    146.63   1.638    183
    145.88   1.629    175
    145.38   1.624    218
    140.00   1.564     60
    138.75   1.550    151
    131.75   1.472     47
     95.00   1.061    263
     94.25   1.053    489
     87.38   0.976    966
     86.75   0.969    544
     80.50   0.899    171
     79.75   0.891    300
     78.75   0.880    157

in CDCl3