112-48-1

乙二醇二丁醚(112-48-1)质谱(MS)

产品名称:乙二醇二丁醚

CAS:112-48-1

分子式:C10H22O2

分子量: 174.28

InChI:InChI=1S/C10H22O2/c1-3-5-7-11-9-10-12-8-6-4-2/h3-10H2,1-2H3

InChIKey: GDXHBFHOEYVPED-UHFFFAOYSA-N

Smiles:C(OCCOCCCC)CCC

Mass

MS-NW-0671          
5,8-dioxadodecane
C10H22O2            (Mass of molecular ion:    174)

   Source Temperature: 260 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      15.0       1.3
      27.0       8.4
      28.0       5.9
      29.0      26.2
      30.0       1.0
      31.0       3.2
      39.0       3.3
      41.0      25.8
      42.0       1.8
      43.0       4.2
      44.0       3.1
      45.0      13.6
      55.0       7.0
      56.0      21.1
      57.0     100.0
      58.0       5.2
      59.0       2.7
      71.0       3.2
      72.0       3.8
      73.0       8.2
      74.0       4.4
      75.0       5.3
      87.0       9.1
     100.0       1.1
     101.0       1.4
     102.0       7.7
     103.0       1.8
     119.0       1.2
     131.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₂₂ O₂	0.04 ml : 0.5 ml CDCl₃
5,8-dioxadodecane

    Assign.     Shift(ppm)

      A             3.570
      B             3.47
      C             1.55
      D             1.38
      E             0.92

     Hz     ppm     Int.

    319.63   3.569   1000
    317.13   3.541     88
    310.56   3.468    236
    304.13   3.396    107
    141.69   1.583     48
    140.88   1.574     45
    140.00   1.564     39
    139.38   1.557     39
    137.25   1.533     44
    135.19   1.510     73
    134.19   1.499     55
    132.63   1.481     47
    131.63   1.470     56
    131.13   1.465     55
    129.88   1.451     45
    127.88   1.428     40
    125.94   1.407     47
    124.25   1.388     40
    120.56   1.347     42
    117.50   1.312     43
    111.25   1.243     31
     89.44   0.999     63
     88.56   0.989    109
     87.69   0.980     90
     81.94   0.915    263
     80.31   0.897     64
     75.81   0.847     36
     74.50   0.832     44

in CDCl3