10471-28-0

十二烷二酸二乙酯(10471-28-0)质谱(MS)

产品名称:十二烷二酸二乙酯

CAS:10471-28-0

分子式:C16H30O4

分子量: 286.41

InChI:InChI=1S/C16H30O4/c1-3-19-15(17)13-11-9-7-5-6-8-10-12-14-16(18)20-4-2/h3-14H2,1-2H3

InChIKey: AFYNPRWLOKYLDU-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-7833          
diethyl dodecanedioate
C16H30O4            (Mass of molecular ion:    286)

   Source Temperature: 140 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      18.0       1.7
      26.0       1.2
      27.0      11.6
      28.0       6.8
      29.0      47.4
      30.0       1.4
      31.0       2.3
      39.0       6.1
      40.0       1.8
      41.0      40.2
      42.0      10.1
      43.0      21.6
      44.0       1.0
      45.0      13.1
      53.0       3.4
      54.0       5.0
      55.0      52.3
      56.0       8.5
      57.0      10.9
      58.0       2.2
      59.0       4.6
      60.0      21.3
      61.0      18.2
      67.0      11.8
      68.0       5.5
      69.0      46.9
      70.0      18.4
      71.0       8.3
      73.0      16.1
      74.0       2.8
      79.0       4.2
      80.0       3.2
      81.0      14.2
      82.0       4.6
      83.0      28.7
      84.0      38.0
      85.0       5.1
      87.0       4.5
      88.0      45.9
      89.0       5.3
      91.0       1.7
      92.0       1.2
      93.0       5.5
      94.0       2.7
      95.0       8.5
      96.0       7.7
      97.0      24.0
      98.0     100.0
      99.0       8.3
     101.0      28.1
     102.0       3.2
     105.0       1.1
     106.0       1.1
     107.0       5.3
     108.0       3.7
     109.0       7.0
     110.0       5.3
     111.0      21.8
     112.0      37.2
     113.0       4.1
     114.0       1.1
     115.0       7.9
     116.0       2.1
     119.0       1.2
     121.0       2.6
     122.0       1.6
     123.0       4.3
     124.0       3.8
     125.0       8.9
     126.0       4.5
     127.0       1.4
     128.0       1.3
     129.0       7.4
     130.0       3.2
     133.0       1.8
     134.0       4.3
     135.0      20.4
     136.0       2.7
     137.0       2.1
     138.0       4.8
     139.0       2.5
     140.0       1.0
     142.0       2.4
     143.0       8.7
     144.0       3.0
     147.0       2.1
     148.0       2.5
     149.0      10.3
     150.0       2.5
     151.0       2.8
     152.0      13.9
     153.0      42.1
     154.0       5.3
     155.0       1.8
     156.0       3.3
     157.0      15.4
     158.0       3.0
     159.0       1.4
     165.0       1.9
     166.0      10.1
     167.0       8.0
     168.0       1.5
     171.0       2.5
     172.0       1.0
     175.0       1.1
     176.0       2.2
     177.0       1.8
     184.0       8.1
     185.0       2.6
     186.0       5.9
     193.0       1.5
     194.0      11.0
     195.0       5.3
     196.0       1.3
     198.0       7.1
     199.0      82.0
     200.0      11.7
     201.0       1.3
     212.0       1.5
     213.0       2.4
     214.0       6.9
     215.0       1.2
     240.0       4.8
     241.0      85.6
     242.0      13.5
     243.0       1.9
     286.0       2.8
     287.0       1.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₆ H₃₀ O₄	0.05 ml : 0.5 ml CDCl₃
diethyl dodecanedioate

    Assign.     Shift(ppm)

      A             4.124
      B             2.284
      C             1.614
      D          1.35 to 1.24
      E             1.256

     Hz     ppm     Int.

   1658.94   4.151    175
   1651.73   4.133    480
   1644.65   4.116    483
   1637.45   4.098    174
    920.41   2.304    256
    912.96   2.285    406
    905.27   2.266    278
    659.42   1.650     36
    652.34   1.633    102
    645.14   1.615    141
    637.82   1.596    101
    632.69   1.584     30
    630.49   1.578     34
    513.55   1.285    510
    508.54   1.273    713
    501.34   1.255   1000
    494.26   1.237    525

in CDCl3