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Back ChemicalBook Home>CAS DataBase List>1732-08-7More Spectrum> DIMETHYL PIMELATE(1732-08-7) MS

DIMETHYL PIMELATE(1732-08-7) MS

Product NameDIMETHYL PIMELATE

CAS1732-08-7

Molecular FormulaC9H16O4

Molecular Weight188.22

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

InChIKey SHWINQXIGSEZAP-UHFFFAOYSA-N

SmilesC(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
    ChemicalStructure
        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



liquid film



4880 A,200 M,liquid



DIMETHYL PIMELATE(1732-08-7) MS Atlas of Related Products

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