774-48-1

苯甲醛二乙缩醛(774-48-1)红外图谱(IR1)

产品名称:苯甲醛二乙缩醛

CAS:774-48-1

分子式:C11H16O2

分子量: 180.24

InChI:InChI=1S/C11H16O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3

InChIKey: MAQMEXSLUSZDQM-UHFFFAOYSA-N

Smiles:C1(C(OCC)OCC)=CC=CC=C1

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9324          
alpha,alpha-diethoxytoluene
C11H16O2            (Mass of molecular ion:    180)

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

      15.0       1.4
      26.0       3.1
      27.0       9.4
      28.0       6.7
      29.0      17.9
      31.0       3.5
      39.0       2.8
      43.0       2.5
      44.0       2.2
      45.0       2.2
      47.0      11.3
      50.0       4.1
      51.0      12.2
      52.0       3.0
      53.0       1.0
      63.0       1.4
      65.0       1.1
      74.0       1.3
      75.0       7.4
      76.0       1.4
      77.0      31.6
      78.0       5.3
      79.0      43.1
      80.0       2.8
      89.0       1.8
      90.0       1.6
      91.0       3.6
      92.0       1.6
     103.0       5.3
     105.0      20.7
     106.0      10.9
     107.0      74.0
     108.0       5.8
     123.0       1.9
     135.0     100.0
     136.0      10.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₆ O₂	0.05 ml : 0.5 ml CDCl₃
alpha,alpha-diethoxytoluene

    Assign.     Shift(ppm)

      A             7.471
      B             7.348
      C             7.300
      D             5.504
      E     *1      3.611
      F     *1      3.531
      G             1.232

     Hz     ppm     Int.

   2992.40   7.488    135
   2990.88   7.484    166
   2984.16   7.467    193
   2983.55   7.466    193
   2945.40   7.370     71
   2943.88   7.367    104
   2942.05   7.362     46
   2936.86   7.349    232
   2935.33   7.345    117
   2930.76   7.334     88
   2929.53   7.331    160
   2923.58   7.316     69
   2922.06   7.312    117
   2920.53   7.308     69
   2917.48   7.301     40
   2914.89   7.294    112
   2907.56   7.276     31
   2199.86   5.505    277
   1459.81   3.653     45
   1452.64   3.635    129
   1450.20   3.629     77
   1445.62   3.618    137
   1443.18   3.612    213
   1438.45   3.600     56
   1436.16   3.594    210
   1428.99   3.576     76
   1425.63   3.568     73
   1418.61   3.550    210
   1416.17   3.544     53
   1411.59   3.533    215
   1409.15   3.526    132
   1404.57   3.515     80
   1402.13   3.509    127
   1394.96   3.491     43
    499.57   1.251    615
    492.55   1.233   1000
    485.38   1.215    584

in CDCl3