1731-92-6

十七烷酸甲酯(1731-92-6)红外图谱(IR1)

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

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

¹H NMR	89.56 MHz
C₁₈ H₃₆ O₂	0.047 g : 0.5 ml CDCl₃
methyl heptadecanoate

    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

KBr disc

nujol mull

4880 A,200 M,powder

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