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Back ChemicalBook Home>CAS DataBase List>156-38-7More Spectrum> 4-Hydroxyphenylacetic acid(156-38-7) MS

4-Hydroxyphenylacetic acid(156-38-7) MS

Molecular FormulaC8H8O3

Molecular Weight152.15

InChIInChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)

InChIKey XQXPVVBIMDBYFF-UHFFFAOYSA-N

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


  • Mass

    MS-NW-2387          
    (p-hydroxyphenyl)acetic acid
    C8H8O3              (Mass of molecular ion:    152)
    

       Source Temperature: 190 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          27.0       2.5
          39.0       3.5
          45.0       1.3
          50.0       2.2
          51.0       4.9
          52.0       2.5
          53.0       3.0
          55.0       1.5
          63.0       1.4
          77.0      13.5
          78.0       3.8
          79.0       2.3
         107.0     100.0
         108.0       8.2
         109.0       1.1
         152.0      28.7
         153.0       2.6
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C8 H8 O3 0.041 g : 0.5 ml DMSO-d6
    (p-hydroxyphenyl)acetic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12. B 9.3 C 7.044 D 6.702 E 3.420

         Hz     ppm     Int.
    

       2822.23   7.062     58
       2819.30   7.055    480
       2817.47   7.050    199
       2812.89   7.039    179
       2810.69   7.033    548
       2685.40   6.720     76
       2682.66   6.713    640
       2680.64   6.708    231
       2676.06   6.697    189
       2674.05   6.691    588
       2671.12   6.684     69
       1367.15   3.421   1000
    

KBr disc



nujol mull



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