52819-34-8

1,7-二乙酰氧基庚烷(52819-34-8)红外图谱(IR1)

产品名称:1,7-二乙酰氧基庚烷

CAS:52819-34-8

分子式:C11H20O4

分子量: 216.27

InChI:InChI=1S/C11H20O4/c1-10(12)14-8-6-4-3-5-7-9-15-11(2)13/h3-9H2,1-2H3

InChIKey: MABSJAOVZMJMDT-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-7195          
heptamethylene diacetate
C11H20O4            (Mass of molecular ion:    216)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       3.8
      15.0       4.5
      27.0       5.1
      28.0       3.5
      29.0       7.6
      31.0       1.6
      39.0       7.7
      40.0       1.9
      41.0      20.4
      42.0      15.6
      43.0     100.0
      44.0       5.3
      45.0       3.3
      53.0       4.9
      54.0      39.8
      55.0      46.8
      56.0      14.2
      57.0       4.5
      58.0       3.0
      60.0       2.2
      61.0      23.1
      65.0       1.4
      66.0       7.8
      67.0      64.2
      68.0      90.7
      69.0      20.3
      70.0       2.4
      71.0       7.0
      72.0       1.5
      73.0       8.9
      77.0       1.4
      79.0       4.6
      80.0       1.8
      81.0      47.0
      82.0       4.1
      83.0       2.4
      84.0       6.0
      85.0       3.2
      86.0       1.9
      87.0       1.9
      91.0       1.5
      93.0       1.3
      94.0       1.8
      95.0      16.0
      96.0      48.2
      97.0       8.6
      98.0       5.4
      99.0       1.0
     100.0       2.0
     101.0       2.1
     103.0       1.2
     111.0       1.3
     113.0       7.5
     114.0       2.6
     115.0       1.0
     126.0       1.7
     128.0       1.5
     129.0       3.3
     173.0       1.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₂₀ O₄	0.05 ml : 0.5 ml CDCl₃
heptamethylene diacetate

    Assign.     Shift(ppm)

      A             4.056
      B             2.045
      C             1.625
      D             1.36

     Hz     ppm     Int.

   1627.69   4.073    235
   1620.97   4.056    429
   1614.26   4.040    235
    817.38   2.046   1000
    657.96   1.647     74
    651.12   1.630    115
    644.29   1.613     90
    638.67   1.599     29
    637.57   1.596     32
    553.59   1.386     63
    544.43   1.363    288
    540.41   1.353    144

in CDCl3