56183-35-8

4-(3-羟基苯氧基)苯甲酸(56183-35-8)质谱(MS)

产品名称:4-(3-羟基苯氧基)苯甲酸

CAS:56183-35-8

分子式:C13H10O4

分子量: 230.22

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

InChIKey: DEDKCEDXZJIDKZ-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=C(OC2=CC=CC(O)=C2)C=C1

Mass

MS-NW-7033          
p-(m-hydroxyphenoxy)benzoic acid
C13H10O4            (Mass of molecular ion:    230)

   Source Temperature: 210 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      18.0       2.1
      27.0       2.0
      38.0       2.6
      39.0      11.6
      40.0       1.1
      41.0       1.1
      45.0       1.5
      50.0       3.8
      51.0       4.6
      52.0       1.8
      53.0       3.0
      55.0       1.5
      62.0       1.7
      63.0       7.0
      64.0       7.4
      65.0      15.6
      66.0       1.6
      69.0       2.4
      74.0       1.6
      75.0       2.5
      76.0       2.0
      77.0       2.1
      78.0       1.7
      78.5       1.4
      79.0       1.0
      80.0       1.0
      81.0       1.9
      92.0       5.5
      93.0       4.4
     103.0       1.1
     105.0       1.1
     106.0       1.0
     106.5       3.4
     110.0       2.1
     115.0       3.6
     116.0       1.8
     117.0       3.2
     121.0       2.5
     122.0       1.1
     127.0       4.6
     128.0       9.6
     129.0      13.0
     130.0       2.6
     131.0       1.6
     139.0       1.9
     155.0       1.8
     156.0       3.4
     157.0      13.4
     158.0       2.7
     161.0       1.0
     162.0       2.0
     167.0       1.5
     184.0       4.8
     185.0       7.4
     186.0       2.4
     201.0       1.2
     202.0       2.8
     211.0       1.0
     212.0       1.0
     213.0      13.8
     214.0       2.3
     229.0       1.1
     230.0     100.0
     231.0      14.8
     232.0       2.0
     244.0       2.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₁₃ H₁₀ O₄	0.038 g : 0.5 ml DMSO-d₆
p-(m-hydroxyphenoxy)benzoic acid

    Assign.     Shift(ppm)

      A            13.
      B             9.9
      C             7.975
      D             7.236
      E             7.058
      F             6.663
      G             6.539
      J             6.499

     Hz     ppm     Int.

   3901.08   9.762     39
   3194.61   7.994    156
   3192.04   7.988    963
   3190.03   7.983    318
   3185.08   7.970    372
   3183.07   7.965   1000
   3180.32   7.958    126
   2900.62   7.258    315
   2892.38   7.238    648
   2884.32   7.218    366
   2828.09   7.077    157
   2825.53   7.071    989
   2823.51   7.065    323
   2818.57   7.053    352
   2816.55   7.048    944
   2813.80   7.041    122
   2666.90   6.674    257
   2666.17   6.672    281
   2664.71   6.668    279
   2663.97   6.666    267
   2658.84   6.653    245
   2658.11   6.652    251
   2656.65   6.648    264
   2655.73   6.646    241
   2618.91   6.554    242
   2618.18   6.552    257
   2616.72   6.548    295
   2615.98   6.546    279
   2610.86   6.533    221
   2610.12   6.532    227
   2608.66   6.528    309
   2607.92   6.526    274
   2599.68   6.505    467
   2597.48   6.500    696
   2595.10   6.494    320

DMSO-d6