Benzaldehyde dimethyl acetal(1125-88-8) Raman

Product NameBenzaldehyde dimethyl acetal

CAS 1125-88-8

Molecular FormulaC9H12O2

Molecular Weight152.19

InChIInChI=1S/C9H12O2/c1-10-9(11-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3

InChIKey HEVMDQBCAHEHDY-UHFFFAOYSA-N

SmilesC1(C(OC)OC)=CC=CC=C1

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Mass

MS-NW-6626          
benzaldehyde dimethyl acetal
C9H12O2             (Mass of molecular ion:    152)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.3
      28.0       1.3
      29.0       2.2
      31.0       1.6
      39.0       2.0
      47.0       2.2
      50.0       2.8
      51.0       7.1
      52.0       1.8
      59.0       2.7
      63.0       1.3
      65.0       1.3
      74.0       1.6
      75.0      11.3
      76.0       1.1
      77.0      22.7
      78.0       3.7
      89.0       1.4
      91.0      10.2
      92.0       1.2
     105.0      10.3
     106.0       2.8
     121.0     100.0
     122.0       9.5
     151.0       1.5
     152.0       1.2

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
benzaldehyde dimethyl acetal

    Assign.     Shift(ppm)

      A          7.42 to 7.31
      B             5.376
      C             3.302

     Hz     ppm     Int.

    669.19   7.472     39
    668.56   7.465     33
    667.56   7.454     37
    664.94   7.425     66
    664.44   7.419     59
    662.88   7.402     97
    662.38   7.396    101
    660.63   7.377     84
    659.06   7.359    115
    658.38   7.352    100
    657.75   7.345     79
    654.81   7.312     64
    653.75   7.300     57
    651.25   7.272     58
    481.56   5.377    109
    295.75   3.303   1000

in CDCl3