626-19-7

m-Phthalaldehyde(626-19-7) IR2

Product Namem-Phthalaldehyde

CAS 626-19-7

Molecular FormulaC8H6O2

Molecular Weight134.13

InChIInChI=1S/C8H6O2/c9-5-7-2-1-3-8(4-7)6-10/h1-6H

InChIKey IZALUMVGBVKPJD-UHFFFAOYSA-N

SmilesC1(C=O)=CC=CC(C=O)=C1

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m-Phthalaldehyde(626-19-7) IR2
Mass

MS-NW-9162          
isophthalaldehyde
C8H6O2              (Mass of molecular ion:    134)

   Source Temperature: 250 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       3.0
      28.0       2.1
      29.0       5.0
      37.0       2.2
      38.0       3.0
      39.0       3.2
      49.0       1.7
      50.0      17.1
      51.0      37.2
      52.0       5.4
      53.0       1.1
      61.0       1.4
      62.0       1.8
      63.0       2.0
      73.0       1.7
      74.0       7.7
      75.0       6.0
      76.0       7.5
      77.0      51.5
      78.0       5.4
     104.0       1.1
     105.0      67.0
     106.0       5.4
     133.0      92.4
     134.0     100.0
     135.0       9.5
     167.0       1.0

90 MHz in CDCl3

m-Phthalaldehyde(626-19-7) IR2

¹H NMR	89.56 MHz
C₈ H₆ O₂	10.0 mol% in CDCl₃
isophthalaldehyde

    Assign.     Shift(ppm)

      A             8.39
      B             8.16
      C             7.75
      D            10.13

     Hz     ppm     Int.

    907.00  10.128   1000
    906.56  10.123    930
    753.31   8.412    118
    752.63   8.404    116
    751.63   8.393    220
    751.00   8.386    225
    749.94   8.374    164
    749.31   8.367    146
    736.81   8.228    235
    735.94   8.218    262
    735.25   8.210    201
    734.19   8.198    199
    729.13   8.142    366
    728.56   8.135    346
    727.38   8.122    339
    726.94   8.117    321
    701.31   7.831     79
    700.88   7.826    142
    700.19   7.819    127
    699.75   7.814     63
    694.50   7.755     65
    694.00   7.749    111
    693.44   7.743    107
    693.00   7.738     95
    692.56   7.733     98
    691.88   7.726     82
    691.44   7.721     42
    686.19   7.662     39
    685.75   7.657     68
    685.13   7.650     59

in CDCl3