o-Phthalaldehyde(643-79-8) IR2

Product Nameo-Phthalaldehyde

CAS 643-79-8

Molecular FormulaC8H6O2

Molecular Weight134.13

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

InChIKey ZWLUXSQADUDCSB-UHFFFAOYSA-N

SmilesC1(C=O)=CC=CC=C1C=O

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o-Phthalaldehyde(643-79-8) IR2
Mass

MS-NW-4256          
phthalaldehyde
C8H6O2              (Mass of molecular ion:    134)

   Source Temperature: 260 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      27.0       3.9
      28.0       1.6
      29.0       5.3
      37.0       2.5
      38.0       3.0
      39.0       6.4
      49.0       1.7
      50.0      16.7
      51.0      38.5
      52.0       9.6
      53.0       2.4
      61.0       1.3
      62.0       2.2
      63.0       3.3
      73.0       1.2
      74.0       5.7
      75.0       3.9
      76.0       8.5
      77.0      76.2
      78.0      16.4
      79.0       1.1
      89.0       1.1
     104.0       2.3
     105.0     100.0
     106.0      36.5
     107.0       2.6
     133.0       7.1
     134.0      35.1
     135.0       3.4

90 MHz in CDCl3

o-Phthalaldehyde(643-79-8) IR2

¹H NMR	89.56 MHz
C₈ H₆ O₂	0.045 g : 0.5 ml CDCl₃
phthalaldehyde

    Assign.     Shift(ppm)

      A            10.53
      B             7.96
      C             7.80

     Hz     ppm     Int.

    943.44  10.535   1000
    720.00   8.040    183
    716.41   8.000    155
    714.87   7.983    147
    714.18   7.975     77
    713.76   7.970    135
    711.19   7.941    357
    710.68   7.936    369
    707.26   7.898    109
    706.58   7.890     30
    704.96   7.872    104
    701.37   7.832    304
    700.85   7.826    267
    698.21   7.797    134
    697.18   7.785    124
    695.56   7.767    152
    692.05   7.728    144

in CDCl3