乙二醇丁醚醋酸酯(112-07-2)Raman光譜

產(chǎn)品名稱:乙二醇丁醚醋酸酯

CAS:112-07-2

分子式:C8H16O3

分子量: 160.21

InChI:InChI=1S/C8H16O3/c1-3-4-5-10-6-7-11-8(2)9/h3-7H2,1-2H3

InChIKey: NQBXSWAWVZHKBZ-UHFFFAOYSA-N

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

Mass

MS-NW-2124          
ethylene glycol monobutyl ether acetate
C8H16O3             (Mass of molecular ion:    160)

   Source Temperature: 250 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       5.7
      18.0       1.0
      27.0       7.4
      28.0       5.4
      29.0      22.4
      31.0       2.4
      32.0       1.3
      39.0       3.5
      41.0      26.0
      42.0       2.3
      43.0      85.9
      44.0      11.5
      45.0       9.5
      55.0       3.9
      56.0      50.0
      57.0     100.0
      58.0       4.8
      61.0       7.0
      70.0       1.8
      71.0       2.6
      72.0       1.4
      73.0       2.9
      74.0       7.1
      75.0       1.0
      85.0      17.8
      86.0       1.1
      87.0      33.7
      88.0      11.5
     100.0       9.2
     117.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ O₃	0.04 ml : 0.5 ml CDCl₃
ethylene glycol monobutyl ether acetate

    Assign.     Shift(ppm)

      A             4.21
      B             3.63
      C             3.47
      D             2.082
      E             1.56
      F             1.37
      G             0.93

     Hz     ppm     Int.

    382.44   4.271     92
    377.81   4.219    115
    376.19   4.201     63
    372.81   4.163    141
    329.06   3.675    156
    326.38   3.645     55
    325.69   3.637     71
    324.13   3.620    126
    323.19   3.609     79
    322.50   3.601     49
    319.56   3.569    101
    317.50   3.546     76
    311.00   3.473    204
    304.69   3.403     97
    186.44   2.082   1000
    142.06   1.587     46
    141.06   1.576     46
    139.44   1.557     40
    137.69   1.538     41
    135.56   1.514     71
    134.44   1.502     57
    132.88   1.484     49
    132.19   1.476     58
    131.69   1.471     54
    131.06   1.464     47
    129.63   1.448     35
    128.81   1.439     42
    126.63   1.414     45
    125.00   1.396     39
    121.38   1.356     42
    118.13   1.320     38
    111.94   1.250     30
     89.25   0.997    105
     82.69   0.924    228
     81.19   0.907     66
     76.56   0.855     36
     75.31   0.841     43

in CDCl3