110-40-7

癸二酸二乙酯(110-40-7)質(zhì)譜(MS)

產(chǎn)品名稱:癸二酸二乙酯

CAS:110-40-7

分子式:C14H26O4

分子量: 258.35

InChI:InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3

InChIKey: ONKUXPIBXRRIDU-UHFFFAOYSA-N

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

Mass

MS-NW-0420          
diethyl sebacate
C14H26O4            (Mass of molecular ion:    258)

   Source Temperature: 130 °C
   Sample Temperature:  90 °C
   Direct, 75 eV

      18.0       1.8
      26.0       1.0
      27.0      12.4
      28.0       6.3
      29.0      41.9
      30.0       1.0
      31.0       1.6
      39.0       5.8
      40.0       1.5
      41.0      33.0
      42.0       9.1
      43.0      14.9
      45.0      11.9
      53.0       3.0
      54.0       4.1
      55.0      47.3
      56.0       9.9
      57.0       4.7
      59.0       4.0
      60.0      21.1
      61.0      16.6
      67.0       8.5
      68.0       5.0
      69.0      25.5
      70.0      16.3
      71.0       3.5
      73.0      14.1
      74.0       2.3
      79.0       3.7
      80.0       3.1
      81.0       9.5
      82.0       3.6
      83.0      19.7
      84.0      30.8
      85.0       2.8
      87.0       4.5
      88.0      44.8
      89.0       4.6
      91.0       1.0
      93.0       3.6
      94.0       2.7
      95.0       8.5
      96.0       6.7
      97.0      34.9
      98.0      53.9
      99.0       4.4
     101.0      26.8
     102.0       3.1
     107.0       4.3
     109.0       2.3
     110.0       5.1
     111.0       8.2
     112.0       6.3
     113.0       1.0
     115.0       7.2
     116.0       1.7
     119.0       2.2
     120.0       2.3
     121.0      11.6
     122.0       1.7
     123.0       2.2
     124.0      10.2
     125.0      60.2
     126.0       5.4
     127.0       1.2
     128.0       2.2
     129.0      15.0
     130.0       2.4
     137.0       3.0
     138.0      28.7
     139.0      20.3
     140.0       2.2
     141.0       1.0
     143.0       5.0
     144.0       1.3
     148.0       5.4
     149.0       2.7
     155.0       1.1
     156.0       2.2
     157.0       3.0
     158.0      11.2
     159.0       1.2
     165.0       1.5
     166.0      40.3
     167.0       8.4
     168.0       2.3
     169.0       1.5
     170.0      11.8
     171.0      95.3
     172.0      10.8
     173.0       1.0
     184.0      11.8
     185.0       5.0
     186.0      11.4
     187.0       1.5
     194.0       1.0
     212.0      15.8
     213.0     100.0
     214.0      13.6
     215.0       1.8
     258.0       2.4

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₄ H₂₆ O₄	0.04 ml : 0.5 ml CDCl₃
diethyl sebacate

    Assign.     Shift(ppm)

      A             4.119
      B             2.27
      C             1.61
      D          1.43 to 1.20
      E             1.251

     Hz     ppm     Int.

    379.94   4.243    104
    372.75   4.163    358
    365.63   4.083    379
    358.56   4.004    127
    212.25   2.370     59
    211.25   2.359     60
    204.63   2.285    171
    197.13   2.202    146
    151.56   1.693     39
    151.00   1.687     38
    149.94   1.675     37
    149.25   1.667     35
    148.25   1.656     34
    147.63   1.649     37
    146.00   1.631     47
    145.38   1.624     51
    144.25   1.611     54
    143.69   1.605     54
    143.38   1.601     54
    142.81   1.595     52
    140.69   1.571     42
    140.19   1.566     41
    139.44   1.557     42
    138.94   1.552     43
    138.44   1.546     42
    137.94   1.541     42
    137.63   1.537     42
    137.13   1.532     41
    136.69   1.527     41
    136.19   1.521     41
    130.63   1.459     30
    130.25   1.455     30
    125.31   1.400     39
    119.06   1.330    589
    116.75   1.304    340
    112.06   1.252   1000
    108.00   1.206     38
    104.81   1.171    411

in CDCl3