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Back ChemicalBook Home>CAS DataBase List>774-48-1More Spectrum> BENZALDEHYDE DIETHYL ACETAL(774-48-1) IR1

774-48-1

BENZALDEHYDE DIETHYL ACETAL(774-48-1) IR1

Molecular FormulaC11H16O2

Molecular Weight180.24

InChIInChI=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

SmilesC1(C(OCC)OCC)=CC=CC=C1

  • BENZALDEHYDE DIETHYL ACETAL(774-48-1) 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

  • BENZALDEHYDE DIETHYL ACETAL(774-48-1) IR1

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

  • BENZALDEHYDE DIETHYL ACETAL(774-48-1) IR1

liquid film

  • BENZALDEHYDE DIETHYL ACETAL(774-48-1) IR1

BENZALDEHYDE DIETHYL ACETAL(774-48-1) IR1 Atlas of Related Products

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