10601-80-6

3,3-二乙氧基丙酸乙酯(10601-80-6)紅外圖譜(IR1)

產品名稱:3,3-二乙氧基丙酸乙酯

CAS:10601-80-6

分子式:C9H18O4

分子量: 190.24

InChI:InChI=1S/C9H18O4/c1-4-11-8(10)7-9(12-5-2)13-6-3/h9H,4-7H2,1-3H3

InChIKey: SIALOQYKFQEKOG-UHFFFAOYSA-N

Smiles:C(OCC)(=O)CC(OCC)OCC

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-9681          
ethyl 3,3-diethoxypropionate
C9H18O4             (Mass of molecular ion:    190)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       1.3
      19.0       1.5
      26.0       1.1
      27.0       6.6
      28.0       2.8
      29.0      25.8
      31.0       5.4
      42.0       2.8
      43.0      22.9
      44.0       8.1
      45.0      12.8
      46.0       1.0
      47.0      42.4
      55.0       2.5
      60.0       2.6
      61.0       1.9
      70.0       2.6
      71.0      49.9
      72.0       4.7
      73.0       2.7
      75.0      43.4
      76.0       1.5
      87.0       3.5
      88.0       1.6
      89.0      21.3
      99.0       6.2
     101.0       2.1
     103.0     100.0
     104.0       5.7
     115.0       9.1
     116.0       1.1
     117.0      25.4
     118.0       1.5
     129.0       1.3
     133.0       2.3
     144.0       1.0
     145.0      45.8
     146.0       4.8
     161.0       6.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₁₈ O₄	0.05 ml : 0.5 ml CDCl₃
ethyl 3,3-diethoxypropionate

    Assign.     Shift(ppm)

      A             4.956
      B             4.156
      C     *1      3.679
      D     *1      3.556
      E             2.653
      F             1.266
      G             1.197
     
     J(C,D)=-9.3HZ
     J(G,C)=J(G,D)=7.1HZ

     Hz     ppm     Int.

   1986.94   4.972    101
   1980.96   4.957    210
   1975.10   4.943    107
   1672.00   4.184    110
   1664.79   4.166    315
   1657.71   4.148    322
   1650.51   4.130    116
   1486.69   3.720     45
   1479.61   3.703    139
   1477.42   3.697     70
   1472.66   3.685    146
   1470.34   3.680    202
   1465.58   3.668     55
   1463.26   3.662    205
   1456.18   3.644     70
   1435.91   3.593     63
   1428.83   3.576    191
   1426.51   3.570     53
   1421.75   3.558    197
   1419.43   3.552    149
   1414.79   3.541     72
   1412.35   3.534    146
   1405.40   3.517     50
   1063.48   2.662    386
   1057.50   2.647    403
    513.18   1.285    353
    505.98   1.267    642
    498.90   1.249    361
    485.84   1.216    583
    483.28   1.210     35
    478.76   1.198   1000
    471.68   1.181    634

in CDCl3