112-25-4

乙二醇己醚(112-25-4)質(zhì)譜(MS)

產(chǎn)品名稱:乙二醇己醚

CAS:112-25-4

分子式:C8H18O2

分子量: 146.23

InChI:InChI=1S/C8H18O2/c1-2-3-4-5-7-10-8-6-9/h9H,2-8H2,1H3

InChIKey: UPGSWASWQBLSKZ-UHFFFAOYSA-N

Smiles:C(O)COCCCCCC

Mass

MS-NW-4281          
2-(hexyloxy)ethanol
C8H18O2             (Mass of molecular ion:    146)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       1.3
      19.0       1.3
      27.0       9.8
      28.0       2.3
      29.0       9.8
      31.0       5.5
      39.0       4.3
      41.0      18.8
      42.0       5.9
      43.0     100.0
      44.0       3.6
      45.0      42.4
      46.0       1.0
      52.0       1.3
      55.0      12.3
      56.0      15.4
      57.0      16.0
      63.0      14.3
      69.0       4.1
      73.0       1.2
      75.0       9.2
      79.0       2.0
      83.0      16.5
      84.0      11.2
      85.0      64.6
      86.0       4.4
      99.0       1.4
     115.0       6.3
     117.0       1.7

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₈ O₂	0.04 ml : 0.5 ml CDCl₃
2-(hexyloxy)ethanol

    Assign.     Shift(ppm)

      A             3.72
      B             3.52
      C             3.48
      D             2.51
      E             1.59
      F          1.49 to 1.16
      G             0.90

     Hz     ppm     Int.

    339.25   3.788    177
    338.00   3.775    204
    334.56   3.736    352
    334.00   3.730    326
    332.63   3.715    303
    330.81   3.694    243
    329.81   3.683    563
    329.25   3.677    539
    320.63   3.581    568
    319.81   3.571    576
    318.81   3.560    280
    317.13   3.541    615
    315.88   3.528    412
    315.19   3.520    445
    314.38   3.511    303
    313.56   3.502    237
    311.00   3.473   1000
    304.50   3.400    469
    224.81   2.511    635
    142.44   1.591    189
    117.31   1.310    713
     85.31   0.953    270
     79.81   0.892    853
     77.63   0.867    188
     74.00   0.827    159

in CDCl3