1732-08-7

庚二酸二甲酯(1732-08-7)核磁圖(¹HNMR)

產(chǎn)品名稱:庚二酸二甲酯

CAS:1732-08-7

分子式:C9H16O4

分子量: 188.22

InChI:InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3

InChIKey: SHWINQXIGSEZAP-UHFFFAOYSA-N

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

Mass

MS2015-05174CW      
dimethyl pimelate
C9H16O4             (Mass of molecular ion:    188)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      15.0       8.3
      27.0       7.0
      29.0       5.0
      39.0      10.2
      40.0       2.4
      41.0      23.2
      42.0       8.8
      43.0      19.4
      45.0       5.2
      48.0       3.7
      49.0       3.9
      53.0       3.5
      54.0       3.2
      55.0      36.2
      56.0       2.8
      57.0       3.2
      59.0      34.9
      67.0       4.3
      68.0      15.9
      69.0      45.8
      70.0       3.6
      71.0       2.6
      73.0      24.7
      74.0      58.5
      75.0       2.6
      79.0       2.1
      81.0       2.4
      82.0       2.8
      83.0      35.3
      84.0       2.3
      85.0       4.4
      87.0      19.6
      88.0       3.3
      96.0      10.9
      97.0      30.8
      98.0       3.0
     100.0      15.3
     101.0       5.5
     111.0      20.9
     113.0       5.2
     114.0       7.2
     115.0     100.0
     116.0       6.7
     124.0      27.0
     125.0      49.0
     126.0       4.1
     127.0       2.7
     128.0      44.9
     129.0       9.1
     139.0       2.2
     156.0      11.3
     157.0      58.5
     158.0       5.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₆ O₄	0.04 ml : 0.5 ml CDCl₃
dimethyl pimelate

    Assign.     Shift(ppm)

      A             3.670
      B             2.321
      C             1.651
      D             1.361

     Hz     ppm     Int.

   1466.92   3.671   1000
    935.18   2.340    148
    927.73   2.322    224
    920.17   2.303    154
    673.95   1.687     44
    668.21   1.672     34
    666.38   1.668    105
    664.06   1.662     34
    660.77   1.654     45
    658.57   1.648    118
    656.25   1.643     36
    653.20   1.635     30
    650.88   1.629     87
    643.43   1.610     45
    550.54   1.378     40
    543.09   1.359     60

in CDCl3