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1731-92-6

十七烷酸甲酯(1731-92-6)红外图谱(IR2)

产品名称:十七烷酸甲酯

CAS:1731-92-6

分子式:C18H36O2

分子量: 284.48

InChI:InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3

InChIKey: HUEBIMLTDXKIPR-UHFFFAOYSA-N

Smiles:C(OC)(=O)CCCCCCCCCCCCCCCC

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    Mass

    MS-NW-5983          
    methyl heptadecanoate
    C18H36O2            (Mass of molecular ion:    284)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          15.0       2.6
          27.0       3.8
          29.0      10.2
          39.0       2.4
          41.0      20.0
          42.0       4.2
          43.0      26.7
          44.0       1.0
          45.0       1.6
          53.0       1.1
          54.0       1.6
          55.0      17.8
          56.0       4.0
          57.0      15.1
          59.0       4.5
          67.0       2.4
          68.0       1.3
          69.0      11.5
          70.0       2.4
          71.0       5.6
          73.0       1.7
          74.0     100.0
          75.0      18.4
          76.0       1.0
          81.0       1.9
          82.0       1.2
          83.0       6.8
          84.0       3.2
          85.0       2.9
          87.0      64.1
          88.0       5.8
          95.0       1.5
          97.0       4.9
          98.0       3.7
         101.0       4.9
         111.0       2.3
         112.0       1.0
         115.0       1.7
         116.0       1.0
         125.0       1.1
         129.0       5.5
         130.0       1.4
         143.0      13.2
         144.0       1.6
         157.0       1.3
         185.0       3.8
         199.0       3.3
         227.0       1.1
         241.0       7.3
         242.0       1.5
         253.0       4.1
         255.0       2.0
         284.0       8.5
         285.0       1.9
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C18 H36 O2 0.047 g : 0.5 ml CDCl3
    methyl heptadecanoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.661 B 2.31 C 1.61 D 1.26 E 0.88

         Hz     ppm     Int.
    

        327.88   3.662    342
        206.31   2.304     30
        198.63   2.218     25
        112.63   1.258   1000
         78.75   0.880     54
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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