112-34-5

二乙二醇丁醚(112-34-5)质谱(MS)

产品名称:二乙二醇丁醚

CAS:112-34-5

分子式:C8H18O3

分子量: 162.23

InChI:InChI=1S/C8H18O3/c1-2-3-5-10-7-8-11-6-4-9/h9H,2-8H2,1H3

InChIKey: OAYXUHPQHDHDDZ-UHFFFAOYSA-N

Smiles:C(O)COCCOCCCC

Mass

MS-NW-5513          
diethylene glycol monobutyl ether
C8H18O3             (Mass of molecular ion:    162)

   Source Temperature: 240 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       3.3
      18.0       2.1
      19.0       2.9
      26.0       1.4
      27.0      12.2
      28.0       9.3
      29.0      29.6
      30.0       1.4
      31.0      10.1
      33.0       1.5
      39.0       4.1
      41.0      31.7
      42.0       2.3
      43.0       6.8
      44.0       8.8
      45.0      99.1
      46.0       2.4
      55.0       6.1
      56.0      18.0
      57.0     100.0
      58.0       5.3
      59.0       9.5
      60.0       6.3
      61.0       2.8
      62.0       3.6
      63.0       1.6
      69.0       1.2
      71.0       4.3
      72.0       8.0
      73.0       4.8
      75.0      20.5
      76.0       1.4
      77.0       2.4
      85.0       5.0
      87.0      11.1
      88.0       2.0
      89.0       9.1
      90.0       1.3
     100.0       7.1
     101.0       5.6
     131.0       2.5
     132.0       3.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₈ O₃	0.04 ml : 0.5 ml CDCl₃
diethylene glycol monobutyl ether

    Assign.     Shift(ppm)

      A          3.82 to 3.43
      B             3.47
      C             2.98
      D             1.55
      E             1.35
      F             0.93

     Hz     ppm     Int.

    339.81   3.795     87
    337.69   3.771    142
    336.88   3.762    123
    336.06   3.753    102
    335.56   3.747    106
    334.69   3.738    184
    333.50   3.724    257
    332.56   3.714    343
    330.44   3.690    608
    329.88   3.684    641
    328.31   3.666    280
    327.06   3.652    851
    325.69   3.637    958
    324.31   3.622   1000
    322.63   3.603    518
    321.63   3.592    321
    319.75   3.571    268
    317.69   3.548    264
    317.13   3.541    306
    314.31   3.510     95
    311.25   3.476    621
    304.81   3.404    299
    266.38   2.975    582
    148.81   1.662     66
    147.56   1.648     59
    146.69   1.638     59
    145.63   1.627     43
    145.19   1.622     44
    142.38   1.590    128
    141.69   1.583    122
    140.06   1.564    106
    139.38   1.557     86
    137.63   1.537    109
    135.88   1.518    195
    134.75   1.505    152
    133.19   1.488    124
    132.69   1.482    117
    131.88   1.473    155
    131.44   1.468    162
    130.31   1.456    132
    128.13   1.431    107
    126.31   1.411    128
    124.56   1.391    115
    122.19   1.365     45
    120.81   1.349    116
    119.31   1.333     56
    117.69   1.315    120
    115.63   1.292     56
    114.63   1.280     52
    111.44   1.245     91
    110.00   1.229     50
    104.94   1.172     41
     89.88   1.004    154
     88.94   0.994    294
     88.13   0.985    264
     84.88   0.948     57
     84.50   0.944     57
     82.38   0.920    679
     80.75   0.902    198
     76.31   0.853    102
     74.94   0.837    124
     73.00   0.816     62

in CDCl3