4-(4-HYDROXYPHENOXY)BENZOIC ACID(500-76-5) ¹H NMR

Product Name4-(4-HYDROXYPHENOXY)BENZOIC ACID

CAS 500-76-5

Molecular FormulaC13H10O4

Molecular Weight230.22

InChIInChI=1S/C13H10O4/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8,14H,(H,15,16)

InChIKey KLXPCYHWTLAVLN-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=C(OC2=CC=C(O)C=C2)C=C1

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4-(4-HYDROXYPHENOXY)BENZOIC ACID(500-76-5) <sup>1</sup>H NMR
Mass

MS-NW-7029          
p-(p-hydroxyphenoxy)benzoic acid
C13H10O4            (Mass of molecular ion:    230)

   Source Temperature: 180 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       2.0
      27.0       2.5
      38.0       1.3
      39.0       7.1
      50.0       3.5
      51.0       3.2
      52.0       1.1
      53.0       3.0
      55.0       1.2
      62.0       1.0
      63.0       3.4
      64.0       2.0
      65.0       9.9
      74.0       1.3
      75.0       2.1
      76.0       3.2
      77.0       2.1
      78.0       1.0
      81.0       6.1
      82.0       1.0
      92.0       1.0
      93.0       1.6
     104.0       2.3
     105.0       3.1
     106.5       1.4
     109.0      13.0
     110.0       3.7
     115.0       1.1
     121.0       1.7
     122.0       2.2
     127.0       2.0
     128.0       4.4
     129.0       3.9
     131.0       1.4
     155.0       1.0
     156.0       1.6
     157.0       7.2
     158.0       1.6
     184.0       4.0
     185.0       3.6
     213.0      12.8
     214.0       2.0
     229.0       1.3
     230.0     100.0
     231.0      14.7
     232.0       1.9

400 MHz in DMSO-d6

4-(4-HYDROXYPHENOXY)BENZOIC ACID(500-76-5) <sup>1</sup>H NMR

¹H NMR	399.65 MHz
C₁₃ H₁₀ O₄	0.035 g : 0.5 ml DMSO-d₆
p-(p-hydroxyphenoxy)benzoic acid

    Assign.     Shift(ppm)

      A            12.8
      B             9.51
      C             7.927
      D             6.976
      E             6.944
      F             6.849

     Hz     ppm     Int.

   3803.09   9.517     48
   3175.56   7.946    104
   3172.81   7.939    801
   3170.80   7.934    252
   3168.60   7.929     53
   3165.85   7.922    283
   3164.02   7.917    827
   3161.27   7.911    101
   2796.95   6.999     65
   2793.29   6.990    709
   2791.09   6.984    235
   2786.70   6.973    294
   2784.50   6.968   1000
   2779.73   6.956    868
   2777.72   6.951    269
   2772.77   6.938    279
   2770.94   6.934    801
   2768.01   6.927    106
   2744.57   6.868    107
   2740.90   6.859    965
   2738.71   6.853    264
   2734.31   6.842    246
   2732.11   6.837    698
   2728.45   6.828     67

in DMSO-d6