2050-20-6

庚二酸二乙酯(2050-20-6)质谱(MS)

产品名称:庚二酸二乙酯

CAS:2050-20-6

分子式:C11H20O4

分子量: 216.27

InChI:InChI=1S/C11H20O4/c1-3-14-10(12)8-6-5-7-9-11(13)15-4-2/h3-9H2,1-2H3

InChIKey: LKKOGZVQGQUVHF-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2195          
diethyl pimelate
C11H20O4            (Mass of molecular ion:    216)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       1.3
      27.0      14.3
      28.0       7.5
      29.0      48.0
      30.0       1.4
      31.0       2.4
      39.0       5.7
      40.0       1.6
      41.0      23.2
      42.0      16.2
      43.0      16.2
      44.0       1.2
      45.0      13.3
      48.0       3.7
      49.0       6.8
      53.0       2.1
      54.0       3.7
      55.0      45.9
      56.0       5.0
      57.0       3.5
      59.0       5.1
      60.0      24.2
      61.0      16.2
      63.0       5.5
      67.0       3.5
      68.0      13.7
      69.0      49.6
      70.0      16.5
      71.0       6.6
      73.0      26.7
      74.0       3.2
      79.0       2.2
      80.0       1.5
      81.0       2.4
      82.0       1.8
      83.0      29.5
      84.0       2.0
      85.0       1.2
      86.0       2.0
      87.0       5.2
      88.0      37.2
      89.0       2.6
      95.0       1.8
      96.0       8.3
      97.0      40.2
      98.0       7.3
      99.0       3.0
     100.0       1.2
     101.0      71.7
     102.0       5.2
     113.0       2.8
     114.0      14.5
     115.0      12.5
     116.0       2.3
     123.0       1.6
     124.0      21.9
     125.0     100.0
     126.0       9.6
     127.0       2.3
     128.0       7.9
     129.0      78.2
     130.0       6.1
     141.0       2.7
     142.0      27.8
     143.0       9.3
     144.0       4.3
     170.0       9.1
     171.0      80.6
     172.0       8.2
     173.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₂₀ O₄	0.05 ml : 0.5 ml CDCl₃
diethyl pimelate

    Assign.     Shift(ppm)

      A             4.124
      B             2.301
      C             1.65
      D             1.36
      E             1.254

     Hz     ppm     Int.

   1659.06   4.152    170
   1651.86   4.134    488
   1644.78   4.116    505
   1637.70   4.098    180
    927.49   2.321    235
    919.92   2.302    395
    912.48   2.284    276
    673.58   1.686     60
    666.02   1.667    157
    663.94   1.662     53
    658.20   1.647    207
    650.51   1.628    161
    643.07   1.610     75
    560.18   1.402     30
    554.93   1.389     42
    552.49   1.383     65
    551.27   1.380     52
    548.10   1.372     35
    545.04   1.364    101
    542.85   1.359     39
    539.43   1.350     35
    536.99   1.344     43
    508.42   1.273    535
    504.52   1.263     43
    501.10   1.254   1000
    494.14   1.237    557

in CDCl3