6639-14-1

2-甲基戊酸正丙酯(6639-14-1)质谱(MS)

产品名称:2-甲基戊酸正丙酯

CAS:6639-14-1

分子式:C9H18O2

分子量: 158.24

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3825          
propyl 2-methylvalerate
C9H18O2             (Mass of molecular ion:    158)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      26.0       1.2
      27.0      19.2
      28.0       5.5
      29.0      15.1
      30.0       1.0
      31.0       4.8
      39.0      12.1
      40.0       2.3
      41.0      37.4
      42.0      18.6
      43.0      96.8
      44.0       4.6
      45.0       4.9
      53.0       2.0
      55.0      15.8
      56.0       9.1
      57.0       5.7
      58.0       1.0
      59.0       7.3
      60.0       1.0
      69.0       5.7
      70.0       6.3
      71.0      96.1
      72.0       6.0
      73.0       9.3
      74.0      98.2
      75.0      18.1
      86.0       1.1
      87.0      27.5
      88.0       2.3
      89.0       2.5
      99.0      88.4
     100.0       6.1
     101.0       5.6
     115.0       1.9
     116.0      49.8
     117.0     100.0
     118.0       6.9
     129.0       5.8
     130.0       1.1

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₈ O₂	0.05 ml : 0.5 ml CDCl₃
propyl 2-methylvalerate

    Assign.     Shift(ppm)

      A     *1      4.035
      B     *1      4.029
      C             2.444
      D             1.65
      E     *2      1.65
      F     *2      1.39
      G             1.32
      J             1.142
      K             0.947
      L             0.907
     
     ASSIGNED BY H-H COSY.
     J(A,B)=-10.8HZ
     J(A,D)=J(B,D)=6.6HZ

     Hz     ppm     Int.

   1618.90   4.051    201
   1617.80   4.049    219
   1612.30   4.035    395
   1611.21   4.032    434
   1605.59   4.018    222
   1604.49   4.015    238
   1600.46   4.005     37
    988.04   2.473     68
    980.83   2.455    117
    974.12   2.438    119
    967.29   2.421     81
    678.47   1.698     53
    677.49   1.696     42
    671.02   1.680    209
    668.95   1.674     63
    664.31   1.663    358
    662.23   1.658    108
    660.40   1.653     59
    656.86   1.644    427
    654.42   1.638     99
    652.34   1.633     40
    649.41   1.625    262
    642.82   1.609     85
    573.49   1.435     39
    567.14   1.420     79
    564.21   1.412     60
    560.79   1.404     59
    557.86   1.396    133
    554.81   1.389     43
    551.64   1.381     95
    550.42   1.378     74
    545.04   1.364    107
    543.95   1.362     98
    538.94   1.349    186
    535.28   1.340     52
    534.42   1.338     54
    531.49   1.330    263
    529.30   1.325     48
    527.22   1.320     74
    524.41   1.313    194
    522.22   1.307     76
    521.36   1.305     69
    519.17   1.300     44
    517.46   1.295     89
    515.26   1.290     70
    508.42   1.273     32
    460.21   1.152    983
    457.89   1.146     94
    453.25   1.135   1000
    385.99   0.966    549
    382.93   0.959     67
    378.54   0.948    967
    375.49   0.940    119
    371.09   0.929    536
    369.51   0.925    522
    365.36   0.915     78
    362.43   0.907    845
    357.91   0.896     97
    355.10   0.889    410
    350.59   0.878     39

in CDCl3