2983-37-1

2-乙基-己酸乙酯(2983-37-1)核磁图(¹HNMR)

产品名称:2-乙基-己酸乙酯

CAS:2983-37-1

分子式:C10H20O2

分子量: 172.26

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

InChIKey: YXAGIRHBJJLWHW-UHFFFAOYSA-N

Smiles:C(OCC)(=O)C(CC)CCCC

¹HNMR

¹³CNMR

IR1

Mass

MS2014-05072CW      
ethyl 2-ethylhexanoate
C10H20O2            (Mass of molecular ion:    172)

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

      27.0      11.4
      28.0      11.5
      29.0      22.7
      32.0       2.8
      39.0       7.1
      40.0       1.5
      41.0      24.1
      42.0       5.0
      43.0      17.1
      45.0       3.8
      53.0       2.4
      54.0       1.0
      55.0      15.4
      56.0       6.2
      57.0      65.6
      58.0       2.9
      59.0       1.6
      67.0       1.1
      69.0       5.4
      70.0       5.9
      71.0       2.7
      73.0      28.5
      74.0       1.5
      83.0       2.0
      87.0       8.4
      88.0      18.4
      89.0       2.7
      97.0       1.9
      98.0       2.2
      99.0      13.0
     100.0       1.0
     101.0      78.1
     102.0       5.4
     115.0      22.1
     116.0     100.0
     117.0       6.7
     127.0      19.2
     128.0       1.7
     129.0      13.4
     130.0       1.4
     143.0       7.7
     144.0      17.8
     145.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₂₀ O₂	0.05 ml : 0.5 ml CDCl₃
ethyl 2-ethylhexanoate

    Assign.     Shift(ppm)

      A             4.143
      B             2.245
      C     *1      1.63
      D     *2      1.59
      E     *1      1.51
      F     *2      1.45
      G          1.31 to 1.25
      J             1.259
      K             0.891
      L             0.885

     Hz     ppm     Int.

   1666.75   4.171    202
   1659.67   4.153    549
   1652.47   4.135    554
   1645.39   4.118    216
    912.11   2.283     31
    906.74   2.269     65
    903.20   2.260     67
    901.37   2.256     44
    897.83   2.247    127
    894.41   2.238     46
    892.46   2.234     73
    889.04   2.225     73
    883.67   2.212     38
    661.87   1.657     53
    655.76   1.641     41
    654.42   1.638     77
    653.20   1.635     72
    648.32   1.623    100
    647.34   1.620     86
    645.87   1.617     88
    643.80   1.611     42
    640.87   1.604    113
    639.65   1.601    134
    637.21   1.595     49
    632.32   1.583    109
    630.98   1.579     65
    624.76   1.564     40
    623.78   1.561     39
    622.31   1.558     31
    614.87   1.539     71
    609.38   1.525     78
    607.42   1.520     79
    601.93   1.507     91
    599.98   1.502     40
    595.70   1.491     78
    593.87   1.486     59
    590.21   1.477     46
    588.26   1.472     81
    582.28   1.457     82
    580.08   1.452     57
    576.66   1.443     34
    574.58   1.438     58
    573.12   1.435     43
    567.63   1.421     38
    566.65   1.418     39
    536.99   1.344     38
    531.86   1.331     60
    530.40   1.328     57
    528.44   1.323     63
    525.51   1.315    101
    525.02   1.314     97
    524.41   1.313     94
    520.87   1.304     77
    518.80   1.299    126
    516.97   1.294     88
    516.60   1.293     88
    514.40   1.288    112
    511.96   1.282    212
    510.25   1.277    627
    505.13   1.264    184
    503.17   1.260   1000
    500.12   1.252    141
    499.02   1.249    145
    497.92   1.246    137
    495.97   1.242    591
    493.53   1.235     85
    491.46   1.230    100
    489.14   1.224     59
    484.86   1.214     30
    363.77   0.911    463
    360.96   0.904    319
    356.32   0.892    831
    354.00   0.886    624
    348.75   0.873    424
    346.80   0.868    363

in CDCl3