878-00-2

4-ACETOXYBENZALDEHYDE(878-00-2) ¹³C NMR

Product Name4-ACETOXYBENZALDEHYDE

CAS 878-00-2

Molecular FormulaC9H8O3

Molecular Weight164.16

InChIInChI=1S/C9H8O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-6H,1H3

InChIKey SEVSMVUOKAMPDO-UHFFFAOYSA-N

SmilesC(=O)C1=CC=C(OC(C)=O)C=C1

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4-ACETOXYBENZALDEHYDE(878-00-2) <sup>13</sup>C NMR
Mass

MS-NW-7511          
p-formylphenyl acetate
C9H8O3              (Mass of molecular ion:    164)

   Source Temperature: 260 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      14.0       1.5
      15.0       7.8
      27.0       1.2
      28.0       3.7
      29.0       2.3
      37.0       1.6
      38.0       5.0
      39.0      16.4
      40.0       1.3
      42.0       3.1
      43.0     100.0
      44.0       2.6
      45.0       3.0
      50.0       3.9
      51.0       3.9
      53.0       1.6
      60.0       2.6
      61.0       1.5
      62.0       2.8
      63.0       6.8
      64.0       3.3
      65.0      16.7
      66.0       2.5
      74.0       1.8
      76.0       1.1
      77.0       1.9
      92.0       1.8
      93.0      13.9
      94.0       3.0
     105.0       1.0
     121.0      90.8
     122.0      83.2
     123.0       7.4
     138.0       2.5
     164.0      12.2
     165.0       1.4

90 MHz in CDCl3

4-ACETOXYBENZALDEHYDE(878-00-2) <sup>13</sup>C NMR

¹H NMR	89.56 MHz
C₉ H₈ O₃	0.05 ml : 0.5 ml CDCl₃
p-formylphenyl acetate

    Assign.     Shift(ppm)

      A             9.949
      B             7.87
      C             7.259
      D             2.296

     Hz     ppm     Int.

    891.06   9.950    215
    712.87   7.960     28
    710.52   7.934    161
    708.47   7.911     60
    703.78   7.859     73
    701.66   7.835    217
    699.39   7.810     43
    656.18   7.327     34
    653.91   7.302    203
    652.22   7.283     59
    647.17   7.227     64
    645.48   7.208    144
    643.14   7.182     23
    205.66   2.297   1000
    202.08   2.257     37

in CDCl3