辛基縮水甘油醚(2461-15-6)核磁圖(¹³CNMR)

產(chǎn)品名稱:辛基縮水甘油醚

CAS:2461-15-6

分子式:C11H22O2

分子量: 186.29

InChI:InChI=1S/C11H22O2/c1-3-5-6-10(4-2)7-12-8-11-9-13-11/h10-11H,3-9H2,1-2H3

InChIKey: BBBUAWSVILPJLL-UHFFFAOYSA-N

Smiles:O1CC1COCC(CC)CCCC

Mass

MS-NW-9658          
2,3-epoxypropyl 2-ethylhexyl ether
C11H22O2            (Mass of molecular ion:    186)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       6.2
      28.0       6.0
      29.0      22.5
      30.0       1.2
      31.0      19.7
      32.0       1.4
      39.0       3.7
      41.0      28.8
      42.0       5.9
      43.0      33.5
      44.0       1.8
      45.0      17.8
      53.0       1.4
      54.0       1.8
      55.0      26.8
      56.0      31.3
      57.0     100.0
      58.0       9.7
      59.0      10.2
      67.0       1.6
      68.0       2.2
      69.0      28.5
      70.0      32.4
      71.0      21.3
      72.0       9.5
      73.0       2.2
      75.0       4.3
      81.0       1.6
      82.0       3.9
      83.0      19.8
      84.0       9.9
      85.0       2.0
      87.0      10.2
      97.0       2.6
      98.0       5.5
      99.0       2.6
     111.0       3.6
     112.0       9.4
     113.0       2.5
     129.0       2.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₂₂ O₂	0.05 ml : 0.5 ml CDCl₃
2,3-epoxypropyl 2-ethylhexyl ether

    Assign.     Shift(ppm)

      A     *1      3.693
      B             3.38
      C     *1      3.37
      D             3.134
      E             2.783
      F             2.599
      G             1.520
      J          1.38 to 1.33
      K             1.28
      L             0.895
      M             0.879

     Hz     ppm     Int.

   1484.50   3.715    102
   1483.64   3.713    110
   1481.45   3.707    106
   1480.47   3.705    109
   1472.90   3.686    120
   1471.92   3.684    129
   1469.85   3.678    124
   1468.87   3.676    127
   1369.51   3.427     71
   1365.97   3.418     65
   1363.77   3.413     80
   1360.23   3.404    156
   1356.57   3.395    237
   1354.49   3.390    162
   1350.46   3.380    291
   1346.80   3.370    153
   1344.36   3.364    148
   1343.26   3.362    163
   1341.06   3.356    160
   1338.75   3.350    162
   1337.28   3.347    172
   1333.98   3.338     75
   1331.79   3.333     61
   1327.88   3.323     68
   1260.25   3.154     61
   1257.32   3.147    102
   1256.10   3.144     82
   1254.52   3.140    121
   1253.17   3.136    118
   1251.59   3.132    103
   1250.37   3.129    129
   1248.78   3.125     68
   1247.44   3.122     97
   1244.63   3.115     55
   1116.94   2.795    200
   1112.79   2.785    205
   1111.82   2.782    249
   1107.67   2.772    213
   1042.48   2.609    204
   1039.79   2.602    203
   1037.35   2.596    182
   1034.67   2.589    174
    612.92   1.534     57
    606.93   1.519     83
    600.95   1.504     74
    594.97   1.489     37
    571.78   1.431     32
    570.43   1.428     30
    565.55   1.416     43
    564.33   1.413     60
    562.99   1.409     38
    558.11   1.397     92
    556.76   1.394     89
    550.66   1.378    135
    549.32   1.375     88
    543.33   1.360    165
    536.99   1.344    160
    536.01   1.342    160
    533.94   1.337     70
    529.66   1.326    189
    526.37   1.318    121
    522.34   1.307    223
    515.14   1.289    335
    512.82   1.284    386
    511.35   1.280    384
    508.54   1.273    302
    506.47   1.268    218
    503.91   1.261    117
    500.24   1.252     73
    497.68   1.246     44
    373.66   0.935     33
    364.38   0.912    218
    363.16   0.909    200
    358.76   0.898    646
    357.67   0.895    668
    351.32   0.880   1000
    343.75   0.861    415

in CDCl3