141-28-6

己二酸二乙酯(141-28-6)質(zhì)譜(MS)

產(chǎn)品名稱:己二酸二乙酯

CAS:141-28-6

分子式:C10H18O4

分子量: 202.25

InChI:InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3

InChIKey: VIZORQUEIQEFRT-UHFFFAOYSA-N

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

Mass

MS-NW-0838          
diethyl adipate
C10H18O4            (Mass of molecular ion:    202)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.3
      18.0       3.2
      26.0       3.1
      27.0      27.0
      28.0      18.2
      29.0      74.7
      30.0       1.9
      31.0       4.5
      32.0       1.5
      39.0       7.7
      40.0       1.4
      41.0      20.9
      42.0       9.7
      43.0      13.6
      45.0      13.8
      53.0       2.8
      54.0       5.0
      55.0      49.3
      56.0      12.8
      57.0       3.4
      58.0       1.5
      59.0      10.8
      60.0      17.3
      61.0      11.5
      68.0       2.8
      69.0       5.9
      70.0       6.9
      71.0       1.0
      73.0      26.3
      74.0       3.5
      82.0       3.0
      83.0      25.3
      84.0       6.7
      85.0       1.4
      87.0      11.0
      88.0      20.2
      89.0       1.1
      99.0       4.4
     100.0       6.5
     101.0      33.5
     102.0       4.2
     110.0       4.1
     111.0     100.0
     112.0       8.7
     114.0       1.7
     115.0      57.1
     116.0       3.9
     127.0       1.2
     128.0      57.7
     129.0      17.5
     130.0       3.6
     156.0      13.2
     157.0      95.5
     158.0       8.3
     202.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₈ O₄	0.04 ml : 0.5 ml CDCl₃
diethyl adipate

    Assign.     Shift(ppm)

      A             4.124
      B             2.32
      C             1.67
      D             1.255

     Hz     ppm     Int.

    380.50   4.249    107
    373.31   4.169    355
    366.13   4.089    373
    359.06   4.010    128
    215.75   2.410     30
    214.50   2.396     47
    213.44   2.384     44
    213.31   2.382     44
    212.44   2.373     42
    211.88   2.366     41
    211.56   2.363     42
    210.31   2.349     55
    207.88   2.322    150
    206.06   2.301     87
    205.88   2.299     87
    203.75   2.276     51
    201.13   2.246     70
    155.81   1.740     70
    152.25   1.700     79
    151.63   1.694     72
    148.75   1.661    171
    146.31   1.634     59
    145.69   1.627     66
    144.81   1.617     73
    143.00   1.597     30
    141.63   1.582     45
    119.31   1.333    458
    112.25   1.254   1000
    110.56   1.235     38
    109.94   1.228     32
    105.06   1.174    401

in CDCl3