4-Hydroxybenzaldehyde(123-08-0) ¹H NMR

Product Name4-Hydroxybenzaldehyde

CAS 123-08-0

Molecular FormulaC7H6O2

Molecular Weight122.12

InChIInChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H

InChIKey RGHHSNMVTDWUBI-UHFFFAOYSA-N

SmilesC(=O)C1=CC=C(O)C=C1

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Mass

MS-NW-4787          
p-hydroxybenzaldehyde
C7H6O2              (Mass of molecular ion:    122)

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

      18.0       1.7
      26.0       1.2
      27.0       2.0
      28.0       2.0
      29.0       3.9
      37.0       3.5
      38.0       6.3
      39.0      30.1
      40.0       3.6
      47.0       2.2
      49.0       1.0
      50.0       4.6
      51.0       3.9
      53.0       5.0
      55.0       2.3
      61.0       2.2
      62.0       3.7
      63.0       7.4
      64.0       3.4
      65.0      42.0
      66.0       6.1
      74.0       2.2
      75.0       1.5
      92.0       1.9
      93.0      41.1
      94.0       5.6
     121.0     100.0
     122.0      92.7
     123.0       6.9
     140.0       1.1

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₆ O₂	0.037 g : 0.5 ml DMSO-d₆
p-hydroxybenzaldehyde

    Assign.     Shift(ppm)

      A            10.6
      B             9.815
      C             7.789
      D             6.965

     Hz     ppm     Int.

   4256.24  10.650    145
   3922.69   9.816   1000
   3120.06   7.807    105
   3117.49   7.801    867
   3115.48   7.796    263
   3110.72   7.784    268
   3108.89   7.780    844
   3106.14   7.773    115
   2790.54   6.983     97
   2787.98   6.977    791
   2785.96   6.972    254
   2781.20   6.960    235
   2779.19   6.955    787
   2776.62   6.948    101

in DMSO-d6

in CDCl3