627-93-0

己二酸二甲酯(627-93-0)红外图谱(IR1)

产品名称:己二酸二甲酯

CAS:627-93-0

分子式:C8H14O4

分子量: 174.19

InChI:InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3

InChIKey: UDSFAEKRVUSQDD-UHFFFAOYSA-N

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

Mass

MS-IW-8018          
dimethyl adipate
C8H14O4             (Mass of molecular ion:    174)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0      21.1
      18.0       2.7
      26.0       2.4
      27.0      13.8
      28.0      11.8
      29.0      13.9
      30.0       1.1
      31.0       6.9
      32.0       2.2
      39.0      12.2
      40.0       2.1
      41.0      25.9
      42.0      15.4
      43.0      32.8
      44.0       4.2
      45.0       6.8
      51.0       1.4
      53.0       5.1
      54.0      11.0
      55.0      77.4
      56.0      10.2
      57.0       5.3
      58.0       2.2
      59.0     100.0
      60.0       3.5
      66.0       1.3
      67.0       1.2
      68.0       5.3
      69.0      10.6
      71.0       5.0
      72.0       9.8
      73.0      34.9
      74.0      51.0
      75.0       2.3
      81.0       1.9
      82.0      16.9
      83.0      33.4
      84.0       4.1
      85.0       1.3
      86.0       1.6
      87.0      17.2
      88.0       4.0
      97.0       6.9
      98.0       1.1
      99.0       3.2
     100.0       5.0
     101.0      81.6
     102.0       4.8
     110.0       6.2
     111.0      87.0
     112.0       6.1
     113.0       2.9
     114.0      98.3
     115.0      24.4
     116.0       1.9
     125.0       1.0
     129.0       1.6
     142.0      17.1
     143.0      74.8
     144.0       5.8
     175.0       1.9

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₄ O₄	0.04 ml : 0.5 ml CDCl₃
dimethyl adipate

    Assign.     Shift(ppm)

      A             3.688
      B             2.32
      C             1.66

     Hz     ppm     Int.

    328.56   3.669   1000
    216.06   2.413     31
    215.31   2.405     29
    215.13   2.403     29
    214.88   2.400     29
    213.94   2.389     29
    212.00   2.368     37
    209.56   2.340    104
    205.56   2.296     41
    202.81   2.265     53
    155.88   1.741     46
    154.94   1.731     31
    152.25   1.700     56
    148.88   1.663    116
    145.63   1.627     53
    144.88   1.618     54
    143.25   1.600     27
    141.88   1.585     34

in CDCl3