4-HYDROXYBENZOIC ACID 4-METHOXYPHENYL ESTER(50687-62-2) ¹H NMR

Product Name4-HYDROXYBENZOIC ACID 4-METHOXYPHENYL ESTER

CAS 50687-62-2

Molecular FormulaC14H12O4

Molecular Weight244.24

InChIInChI=1S/C14H12O4/c1-17-12-6-8-13(9-7-12)18-14(16)10-2-4-11(15)5-3-10/h2-9,15H,1H3

InChIKey MTQSVJUCLQYISS-UHFFFAOYSA-N

SmilesC(OC1=CC=C(OC)C=C1)(=O)C1=CC=C(O)C=C1

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Mass

MS-IW-5663          
p-methoxyphenyl p-hydroxybenzoate
C14H12O4            (Mass of molecular ion:    244)

   Source Temperature: 170 °C
   Sample Temperature: 150 °C
   Direct, 75 eV

      18.0       4.6
      39.0       2.8
      53.0       1.0
      63.0       1.1
      64.0       1.0
      65.0       6.3
      81.0       1.7
      92.0       1.0
      93.0       8.9
      94.0       1.3
      95.0       1.2
     109.0       7.3
     121.0     100.0
     122.0       8.0
     123.0       4.3
     124.0      12.3
     125.0       1.0
     244.0      12.0
     245.0       1.9

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₄ H₁₂ O₄	0.040 g : 0.5 ml DMSO-d₆
p-methoxyphenyl p-hydroxybenzoate

    Assign.     Shift(ppm)

      A            10.5
      B             7.988
      C             7.158
      D             6.987
      E             6.942
      F             3.776

     Hz     ppm     Int.

   4206.08  10.525    137
   3199.92   8.007     31
   3197.17   8.000    242
   3195.19   7.995     76
   3190.31   7.983     85
   3188.32   7.978    249
   3185.58   7.971     30
   2866.06   7.172    213
   2863.77   7.166     70
   2859.19   7.155     85
   2856.90   7.149    273
   2800.29   7.007     30
   2796.78   6.999    266
   2794.34   6.992     78
   2789.92   6.981     76
   2787.63   6.976    203
   2781.52   6.960     38
   2778.78   6.954    249
   2776.79   6.949     78
   2771.91   6.936     82
   2769.93   6.931    234
   1509.40   3.777   1000

in DMSO-d6