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

Product Name4-Hydroxyphenylacetic acid

CAS 156-38-7

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

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

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

¹H NMR	399.65 MHz
C₈ H₈ O₃	0.041 g : 0.5 ml DMSO-d₆
(p-hydroxyphenyl)acetic acid

    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