2983-21-3

Α-庚基-Γ-丁內(nèi)酯(2983-21-3)紅外圖譜(IR1)

產(chǎn)品名稱:Α-庚基-Γ-丁內(nèi)酯

CAS:2983-21-3

分子式:C11H20O2

分子量: 184.28

InChI:InChI=1S/C11H20O2/c1-2-3-4-5-6-7-10-8-9-13-11(10)12/h10H,2-9H2,1H3

InChIKey: ABQLAMJAQZFPJI-UHFFFAOYSA-N

Smiles:O1CCC(CCCCCCC)C1=O

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2623          
alpha-heptyl-gamma-butyrolactone
C11H20O2            (Mass of molecular ion:    184)

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

      27.0       4.4
      28.0       1.0
      29.0       6.9
      39.0       4.4
      41.0      15.4
      42.0       6.3
      43.0      11.2
      53.0       2.0
      54.0       1.9
      55.0      17.2
      56.0       5.9
      57.0       3.6
      58.0       4.5
      67.0       1.9
      68.0       1.3
      69.0       5.3
      70.0       2.7
      81.0       2.6
      83.0       1.3
      84.0       1.0
      85.0       4.9
      86.0     100.0
      87.0       5.6
      99.0      51.2
     100.0       3.7
     184.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₂₀ O₂	0.05 ml : 0.5 ml CDCl₃
alpha-heptyl-gamma-butyrolactone

    Assign.     Shift(ppm)

      A     *1      4.334
      B     *1      4.193
      C             2.515
      D     *2      2.406
      E     *2      1.940
      F     *3      1.87
      G     *3      1.44
      J             1.40
      K             1.35
      L             1.31
      M             1.25
      N             0.882
     
     ASSIGNED BY CH-COSY

     Hz     ppm     Int.

   1743.53   4.363    121
   1740.48   4.356    127
   1734.62   4.341    230
   1731.69   4.334    223
   1725.95   4.319    179
   1723.02   4.312    172
   1687.87   4.224    214
   1681.15   4.207    249
   1678.83   4.201    221
   1678.34   4.200    271
   1672.12   4.184    235
   1671.63   4.183    274
   1669.31   4.177    187
   1662.60   4.161    171
   1018.31   2.549     57
   1014.28   2.538     63
   1013.06   2.535     51
   1009.52   2.527    132
   1008.42   2.524     91
   1005.62   2.517     55
   1004.39   2.514     73
   1000.85   2.505     97
    999.63   2.502    137
    995.73   2.492     42
    990.97   2.480     76
    976.56   2.444    109
    973.63   2.437    107
    969.85   2.427    110
    967.77   2.422     77
    966.92   2.420    108
    964.84   2.415     90
    964.23   2.413    122
    961.18   2.406    169
    958.13   2.398     88
    957.52   2.396    117
    955.44   2.391     92
    954.47   2.389    107
    952.51   2.384     83
    948.73   2.374     78
    945.68   2.367     73
    795.78   1.992     87
    787.23   1.970    107
    786.13   1.968    137
    783.33   1.961     79
    777.59   1.946    131
    776.25   1.943    102
    774.78   1.939     94
    773.68   1.936    127
    767.82   1.922     86
    765.14   1.915    128
    763.79   1.912    103
    757.81   1.897     64
    755.25   1.890     96
    753.54   1.886     51
    751.83   1.882     64
    749.39   1.876     76
    746.95   1.870     79
    744.75   1.864     97
    742.92   1.859     72
    738.04   1.847     64
    593.14   1.485     31
    586.18   1.467     69
    584.72   1.464     48
    578.61   1.448     92
    577.51   1.446     75
    569.70   1.426    119
    565.80   1.416    158
    561.65   1.406    230
    557.86   1.396    156
    556.64   1.393    156
    550.66   1.378    117
    548.71   1.373    118
    545.78   1.366     96
    541.50   1.355    112
    529.17   1.325    281
    523.80   1.311    406
    521.97   1.307    454
    517.46   1.295    442
    511.35   1.280    433
    359.74   0.901    304
    352.91   0.884   1000
    345.83   0.866    354

in CDCl3