丙酸丁酯(590-01-2)核磁圖(¹HNMR)

產(chǎn)品名稱:丙酸丁酯

CAS:590-01-2

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-3-5-6-9-7(8)4-2/h3-6H2,1-2H3

InChIKey: BTMVHUNTONAYDX-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)CC

Mass

MS2016-05355CW      
butyl propionate
C7H14O2             (Mass of molecular ion:    130)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      26.0       1.2
      27.0       8.5
      28.0       5.9
      29.0      31.3
      31.0       1.9
      39.0       4.0
      41.0      18.9
      42.0       1.0
      43.0       2.3
      55.0       7.3
      56.0      37.9
      57.0     100.0
      58.0       3.4
      71.0       2.8
      73.0       1.5
      74.0       3.1
      75.0      31.3
      76.0       1.1
      87.0       9.0
     101.0       1.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
butyl propionate

    Assign.     Shift(ppm)

      A             4.075
      B             2.314
      C             1.61
      D             1.42
      E             1.143
      F             0.94

     Hz     ppm     Int.

    371.50   4.149    185
    365.06   4.077    488
    358.56   4.004    261
    219.50   2.451     85
    218.94   2.445     93
    211.38   2.361    368
    203.81   2.276    423
    196.81   2.198    128
    196.31   2.192    135
    151.75   1.695     69
    149.56   1.670     62
    145.19   1.622    129
    142.88   1.596    103
    139.38   1.557    147
    139.00   1.553    153
    137.31   1.534    135
    133.38   1.490    159
    131.94   1.474    109
    129.31   1.444     80
    127.63   1.426    115
    125.88   1.406    105
    122.13   1.364    106
    119.13   1.331    110
    117.13   1.308     61
    115.81   1.294     50
    112.69   1.259     96
    111.44   1.245     50
    109.38   1.222    493
    106.13   1.186     61
    102.13   1.141   1000
    101.75   1.137    817
     94.25   1.053    366
     90.13   1.007    271
     89.56   1.000    258
     86.75   0.969     50
     86.38   0.965     51
     83.75   0.936    560
     82.25   0.919    186
     77.44   0.865     86
     76.25   0.852    118
     74.31   0.830     55

in CDCl3