4944-60-9

1,3-壬二醇乙酸酯(4944-60-9)红外图谱(IR1)

产品名称:1,3-壬二醇乙酸酯

CAS:4944-60-9

分子式:C13H24O4

分子量: 244.33

InChI:InChI=1S/C13H24O4/c1-12(14)16-10-8-6-4-3-5-7-9-11-17-13(2)15/h3-11H2,1-2H3

InChIKey: JAEVCKMMGIFOCL-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9042          
nonamethylene diacetate
C13H24O4            (Mass of molecular ion:    244)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.7
      18.0       1.1
      27.0       2.8
      28.0       2.6
      29.0       5.2
      39.0       3.3
      41.0      17.5
      42.0       7.3
      43.0     100.0
      44.0       2.8
      45.0       2.6
      53.0       2.1
      54.0      24.3
      55.0      27.9
      56.0       6.5
      57.0       4.0
      58.0       1.6
      60.0       2.0
      61.0      13.5
      66.0       5.3
      67.0      33.5
      68.0      36.9
      69.0      17.4
      70.0       4.0
      71.0       2.6
      72.0       1.3
      73.0       4.4
      79.0       1.9
      80.0       1.7
      81.0      27.8
      82.0      46.9
      83.0      12.8
      84.0       2.9
      85.0       1.0
      94.0       1.6
      95.0      24.9
      96.0      27.6
      97.0       6.7
      98.0       1.8
     101.0       1.7
     109.0       3.5
     112.0       1.0
     123.0       3.8
     124.0      18.3
     125.0       2.3
     141.0       1.0
     201.0       1.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₃ H₂₄ O₄	0.05 ml : 0.5 ml CDCl₃
nonamethylene diacetate

    Assign.     Shift(ppm)

      A             4.053
      B             2.046
      C             1.62
      D             1.32

     Hz     ppm     Int.

   1626.59   4.071    185
   1619.87   4.054    355
   1613.04   4.037    193
    817.63   2.046   1000
    654.66   1.639     64
    647.58   1.621     97
    640.50   1.603     79
    633.67   1.586     29
    543.95   1.362     48
    526.25   1.317    256

in CDCl3