4439-24-1

乙二醇单异丁醚(4439-24-1)核磁图(¹³CNMR)

产品名称:乙二醇单异丁醚

CAS:4439-24-1

分子式:C6H14O2

分子量: 118.17

InChI:InChI=1S/C6H14O2/c1-6(2)5-8-4-3-7/h6-7H,3-5H2,1-2H3

InChIKey: HHAPGMVKBLELOE-UHFFFAOYSA-N

Smiles:C(O)COCC(C)C

Mass

MS-NW-1202          
2-isobutoxyethanol
C6H14O2             (Mass of molecular ion:    118)

   Source Temperature: 240 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       2.0
      18.0       3.2
      19.0       2.4
      27.0       9.8
      28.0       2.7
      29.0      22.8
      31.0       7.7
      39.0       6.2
      40.0       1.0
      41.0      30.3
      42.0       2.8
      43.0       5.0
      44.0       2.1
      45.0      72.1
      46.0       1.8
      55.0       4.1
      56.0      10.1
      57.0     100.0
      58.0       4.6
      59.0       3.5
      63.0       1.3
      71.0       3.6
      72.0       1.8
      73.0       2.9
      75.0      22.8
      76.0       1.1
      87.0      10.1
     100.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
2-isobutoxyethanol

    Assign.     Shift(ppm)

      A             3.718
      B             3.536
      C             3.241
      D             2.45
      E             1.874
      F             0.918

     Hz     ppm     Int.

    339.38   3.790     49
    338.19   3.777     55
    334.69   3.738    101
    332.81   3.717     85
    329.94   3.685    160
    329.38   3.678    152
    320.44   3.578    159
    319.69   3.570    157
    318.69   3.559     66
    316.94   3.539    104
    315.56   3.524     96
    315.00   3.518    114
    314.25   3.509     72
    311.56   3.479     63
    310.25   3.465     54
    293.81   3.281    413
    287.19   3.207    471
    219.31   2.449    240
    175.56   1.961     41
    168.75   1.885     53
    162.25   1.812     47
     85.06   0.950   1000
     78.50   0.877    782

in CDCl3