112-15-2

二乙二醇單乙基醚醋酸酯(112-15-2)質(zhì)譜(MS)

產(chǎn)品名稱:二乙二醇單乙基醚醋酸酯

CAS:112-15-2

分子式:C8H16O4

分子量: 176.21

InChI:InChI=1S/C8H16O4/c1-3-10-4-5-11-6-7-12-8(2)9/h3-7H2,1-2H3

InChIKey: FPZWZCWUIYYYBU-UHFFFAOYSA-N

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

Mass

MS-NW-0030          
diethylene glycol monoethyl ether acetate
C8H16O4             (Mass of molecular ion:    176)

   Source Temperature: 220 °C
   Sample Temperature:  65 °C
   Reservoir, 75 eV

      15.0       5.4
      18.0       1.1
      19.0       1.3
      27.0       7.0
      28.0       6.2
      29.0      13.3
      31.0      37.2
      32.0       1.1
      41.0       3.7
      42.0       2.6
      43.0     100.0
      44.0      10.2
      45.0      53.2
      46.0       1.2
      58.0       1.8
      59.0      52.2
      60.0       1.8
      61.0       6.2
      72.0      51.5
      73.0      20.2
      74.0       2.5
      75.0       1.1
      86.0       1.8
      87.0      66.5
      88.0       3.5
      89.0       4.5
     101.0       2.4
     103.0       3.5
     104.0       1.5
     116.0       3.1
     117.0       1.8
     132.0       1.8

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ O₄	0.04 ml : 0.5 ml CDCl₃
diethylene glycol monoethyl ether acetate

    Assign.     Shift(ppm)

      A             4.23
      B             3.71
      C          3.74 to 3.52
      D             3.54
      E             2.076
      F             1.216

     Hz     ppm     Int.

    384.00   4.288     78
    379.38   4.237    101
    377.63   4.217     55
    377.00   4.210     40
    374.31   4.180    132
    336.75   3.761    163
    334.00   3.730     59
    333.31   3.722     85
    331.75   3.705    134
    330.88   3.695    108
    330.19   3.687     68
    328.63   3.670     67
    327.25   3.654    155
    326.81   3.650    158
    325.94   3.640    181
    324.75   3.627    366
    324.19   3.620    351
    323.00   3.607    169
    320.06   3.574    229
    313.00   3.495    226
    306.25   3.420     68
    186.00   2.077   1000
    115.63   1.292    220
    108.69   1.214    463
    101.63   1.135    187

in CDCl3