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Back ChemicalBook Home>CAS DataBase List>3328-70-9More Spectrum> 4-Hydroxyisophthalaldehyde(3328-70-9) MS

3328-70-9

4-Hydroxyisophthalaldehyde(3328-70-9) MS

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

  • 4-Hydroxyisophthalaldehyde(3328-70-9) MS
    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

  • 4-Hydroxyisophthalaldehyde(3328-70-9) MS

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

  • 4-Hydroxyisophthalaldehyde(3328-70-9) MS

KBr disc

  • 4-Hydroxyisophthalaldehyde(3328-70-9) MS

nujol mull

  • 4-Hydroxyisophthalaldehyde(3328-70-9) MS

4-Hydroxyisophthalaldehyde(3328-70-9) MS Atlas of Related Products

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