4-HYDROXYISOPHTHALALDEHYDE(3328-70-9) IR2

Product Name4-HYDROXYISOPHTHALALDEHYDE

CAS 3328-70-9

Molecular FormulaC8H6O3

Molecular Weight150.13

InChIInChI=1S/C8H6O3/c9-4-6-1-2-8(11)7(3-6)5-10/h1-5,11H

InChIKey FEUATHOQKVGPEK-UHFFFAOYSA-N

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

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Mass

MS-IW-5006          
4-hydroxyisophthalaldehyde
C8H6O3              (Mass of molecular ion:    150)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      29.0       3.1
      37.0       2.1
      38.0       3.8
      39.0      17.4
      40.0       1.6
      47.0       2.4
      50.0       4.3
      51.0       3.5
      53.0       6.3
      55.0       1.1
      61.0       3.2
      62.0       4.7
      63.0       8.0
      64.0       3.1
      65.0      27.4
      66.0       3.9
      74.0       3.5
      75.0       4.5
      76.0       1.9
      91.0       1.0
      92.0       2.7
      93.0      19.3
      94.0       1.7
     103.0       6.2
     104.0       4.5
     121.0      23.4
     122.0       2.2
     132.0       2.9
     147.0       3.4
     149.0     100.0
     150.0      94.0
     151.0       8.7

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₆ O₃	0.044 g : 0.5 ml CDCl₃
4-hydroxyisophthalaldehyde

    Assign.     Shift(ppm)

      A            11.6
      B     *1     10.024
      C     *1      9.952
      D             8.172
      E             8.081
      F             7.141

     Hz     ppm     Int.

   4622.65  11.567    336
   4006.35  10.025   1000
   4005.74  10.024    938
   4002.53  10.016     21
   3977.51   9.953    999
   3267.36   8.176    535
   3265.38   8.171    592
   3235.17   8.096    354
   3233.03   8.090    324
   3226.47   8.074    374
   3224.33   8.068    346
   2858.43   7.153    414
   2849.73   7.131    403

in CDCl3