77-84-9

2-乙基-2-甲基-1,3-丙二醇(77-84-9)质谱(MS)

产品名称:2-乙基-2-甲基-1,3-丙二醇

CAS:77-84-9

分子式:C6H14O2

分子量: 118.17

InChI:InChI=1S/C6H14O2/c1-3-6(2,4-7)5-8/h7-8H,3-5H2,1-2H3

InChIKey: VNAWKNVDKFZFSU-UHFFFAOYSA-N

Smiles:C(O)C(CC)(C)CO

Mass

MS-NW-6589          
2-ethyl-2-methyl-1,3-propanediol
C6H14O2             (Mass of molecular ion:    118)

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

      15.0       1.3
      17.0       1.3
      18.0       6.3
      19.0       1.7
      26.0       1.2
      27.0      14.7
      28.0       2.3
      29.0      19.9
      30.0       1.7
      31.0      22.6
      39.0      12.0
      40.0       1.9
      41.0      50.6
      42.0      11.0
      43.0      35.5
      44.0       1.3
      45.0     100.0
      46.0       2.4
      51.0       1.2
      53.0       4.5
      54.0       1.9
      55.0      29.2
      56.0       3.0
      57.0      12.0
      58.0       7.7
      59.0       3.9
      67.0       5.3
      68.0       1.6
      69.0      28.6
      70.0      88.5
      71.0      20.0
      72.0       3.9
      82.0       2.1
      85.0       2.5
      86.0       4.2
      87.0      22.4
      88.0       1.7
     100.0       1.3

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₄ O₂	0.041 g : 0.5 ml CDCl₃
2-ethyl-2-methyl-1,3-propanediol

    Assign.     Shift(ppm)

      A             3.54
      B             3.49
      C             1.343
      D             0.862
      E             0.794
     
     90MHZ:HSP-03-403

     Hz     ppm     Int.

   1415.65   3.543    233
   1404.54   3.515    138
   1396.24   3.494    171
   1385.50   3.467     59
    548.71   1.373     67
    541.02   1.354    219
    533.45   1.335    234
    525.88   1.316     84
    351.68   0.880    303
    344.24   0.862    588
    336.55   0.843    256
    317.26   0.794   1000

¹H NMR	89.56 MHz
C₆ H₁₄ O₂	0.041 g : 0.5 ml CDCl₃
2-ethyl-2-methyl-1,3-propanediol

    Assign.     Shift(ppm)

      A             3.498
      B             3.46
      C             1.33
      D             0.860
      E             0.796

     Hz     ppm     Int.

    313.38   3.500    752
    309.75   3.459    529
    125.00   1.396     74
    124.31   1.389     71
    119.63   1.336     30
    118.56   1.324     37
    117.13   1.308    128
    111.19   1.242     48
    109.75   1.226     50
     84.81   0.947     86
     83.94   0.938    149
     77.13   0.862    349
     75.06   0.839     62
     73.81   0.825     34
     73.13   0.817     31
     71.31   0.797   1000
     69.25   0.774    107
     67.56   0.755     50

in CDCl3