6297-41-2

2-甲基戊丁酯(6297-41-2)核磁图(¹³CNMR)

产品名称:2-甲基戊丁酯

CAS:6297-41-2

分子式:C10H20O2

分子量: 172.26

InChI:InChI=1S/C10H20O2/c1-4-6-8-12-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3

InChIKey: FMVUGLMJUHFPSJ-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)C(C)CCC

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3808          
butyl 2-methylvalerate
C10H20O2            (Mass of molecular ion:    172)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0      14.6
      28.0       6.1
      29.0      31.5
      30.0       1.0
      31.0       1.5
      39.0      10.2
      40.0       1.8
      41.0      44.1
      42.0       9.1
      43.0      77.0
      44.0       2.9
      45.0       3.7
      53.0       2.0
      55.0      19.1
      56.0      52.9
      57.0      41.2
      58.0       1.9
      59.0       2.1
      69.0       4.5
      70.0       5.2
      71.0      92.8
      72.0       5.5
      73.0       6.8
      74.0      82.3
      75.0       9.8
      87.0      20.2
      88.0       1.5
      89.0       2.3
      99.0      73.6
     100.0       6.1
     101.0       6.3
     115.0       1.0
     116.0       2.5
     117.0     100.0
     118.0       6.8
     129.0       1.3
     130.0      19.6
     131.0       1.6
     143.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₂₀ O₂	0.05 ml : 0.5 ml CDCl₃
butyl 2-methylvalerate

    Assign.     Shift(ppm)

      A     *1      4.075
      B     *1      4.070
      C             2.436
      D     *2      1.65
      E             1.61
      F     *2      1.40
      G     *3      1.39
      J     *3      1.32
      K             1.138
      L             0.940
      M             0.906

     Hz     ppm     Int.

   1634.77   4.091    222
   1633.91   4.089    218
   1628.05   4.074    430
   1627.32   4.072    417
   1621.34   4.057    235
   1620.73   4.056    232
    984.62   2.464     70
    977.54   2.446    117
    970.70   2.429    121
    963.87   2.412     81
    675.78   1.691     33
    669.31   1.675     52
    667.97   1.672     37
    666.75   1.669     43
    666.14   1.667     40
    662.60   1.658     67
    661.50   1.656     64
    660.40   1.653     74
    658.69   1.649     93
    654.91   1.639    138
    652.59   1.633    225
    651.86   1.632    198
    649.17   1.625     94
    647.71   1.621    164
    645.87   1.617    211
    645.14   1.615    229
    643.92   1.612    156
    642.58   1.608    147
    641.11   1.605     65
    640.26   1.603     73
    637.21   1.595    205
    630.49   1.578     98
    573.97   1.437     57
    571.90   1.432     50
    566.53   1.418    173
    565.55   1.416    147
    562.62   1.408     86
    560.79   1.404    112
    559.08   1.399    261
    556.27   1.392    165
    553.34   1.385    129
    551.27   1.380    238
    550.05   1.377    189
    548.83   1.374     96
    546.02   1.367     71
    543.82   1.361    227
    542.36   1.358    127
    537.48   1.345    209
    533.94   1.337     52
    532.96   1.334     55
    530.15   1.327    258
    527.83   1.321     46
    525.76   1.316     77
    525.27   1.315     74
    523.19   1.310    192
    520.87   1.304     77
    520.02   1.302     66
    516.11   1.292     90
    513.92   1.286     72
    507.08   1.269     30
    458.50   1.148   1000
    451.42   1.130    970
    447.02   1.119     43
    386.96   0.969     31
    383.06   0.959    533
    379.88   0.951     46
    375.61   0.940    940
    369.14   0.924    554
    368.29   0.922    556
    362.06   0.906    815
    357.67   0.895     71
    354.86   0.888    380

in CDCl3