39255-32-8

2-甲基戊酸乙酯(39255-32-8)紅外圖譜(IR1)

產(chǎn)品名稱:2-甲基戊酸乙酯

CAS:39255-32-8

分子式:C8H16O2

分子量: 144.21

InChI:InChI=1S/C8H16O2/c1-4-6-7(3)8(9)10-5-2/h7H,4-6H2,1-3H3

InChIKey: HZPKNSYIDSNZKW-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-3523          
ethyl 2-methylvalerate
C8H16O2             (Mass of molecular ion:    144)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       1.4
      27.0      16.2
      28.0       5.2
      29.0      35.3
      30.0       1.7
      31.0       2.3
      39.0       8.0
      40.0       1.4
      41.0      20.1
      42.0       8.8
      43.0      78.1
      44.0       3.0
      45.0       9.1
      53.0       1.6
      55.0      13.6
      56.0       8.2
      57.0       3.3
      59.0       1.9
      69.0       4.2
      70.0       5.7
      71.0      67.1
      72.0       3.8
      73.0       9.9
      74.0      61.5
      75.0       6.0
      87.0      13.5
      88.0       1.3
      99.0      32.2
     100.0       2.2
     101.0       6.9
     102.0     100.0
     103.0       5.9
     115.0      14.2
     116.0       2.3
     117.0       2.6
     129.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₆ O₂	0.05 ml : 0.5 ml CDCl₃
ethyl 2-methylvalerate

    Assign.     Shift(ppm)

      A             4.127
      B             2.428
      C     *1      1.644
      D     *1      1.39
      E             1.33
      F             1.254
      G             1.137
      J             0.907

     Hz     ppm     Int.

   1660.64   4.156    115
   1660.03   4.154    119
   1653.56   4.138    339
   1652.95   4.136    327
   1646.36   4.120    346
   1645.75   4.118    337
   1639.16   4.102    122
   1638.67   4.101    128
    981.32   2.456     56
    974.24   2.438     94
    967.41   2.421     97
    960.57   2.404     64
    669.19   1.675     44
    666.26   1.668     30
    662.35   1.658     52
    661.62   1.656     48
    660.16   1.652     48
    655.27   1.640     69
    654.66   1.639     74
    654.30   1.638     74
    652.47   1.633     48
    647.71   1.621     94
    640.14   1.602     30
    571.17   1.430     38
    564.94   1.414     67
    561.77   1.406     53
    558.84   1.399     43
    555.54   1.391    107
    549.32   1.375     88
    547.97   1.372     58
    545.65   1.366     31
    544.43   1.363     52
    542.85   1.359     80
    541.50   1.355     71
    538.09   1.347    116
    536.99   1.344    118
    535.16   1.340     42
    534.30   1.337     39
    530.76   1.329    174
    526.98   1.319     58
    526.49   1.318     57
    523.56   1.311    153
    521.12   1.304     55
    520.02   1.302     52
    517.46   1.295     57
    517.09   1.294     57
    516.48   1.293     59
    514.16   1.287     59
    508.30   1.272    570
    505.86   1.266     36
    504.52   1.263     41
    501.22   1.255   1000
    497.44   1.245     33
    494.14   1.237    548
    457.89   1.146    850
    455.44   1.140     59
    450.93   1.129    829
    369.38   0.925    374
    362.18   0.907    673
    358.03   0.896     48
    357.06   0.894     56
    354.86   0.888    300

in CDCl3