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2243-42-7

2-苯氧基苯甲酸(2243-42-7)核磁图(13CNMR)

产品名称:2-苯氧基苯甲酸

CAS:2243-42-7

分子式:C13H10O3

分子量: 214.22

InChI:InChI=1S/C13H10O3/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H,(H,14,15)

InChIKey: PKRSYEPBQPFNRB-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=CC=C1OC1=CC=CC=C1

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    Mass

    MS-IW-8131          
    o-phenoxybenzoic acid
    C13H10O3            (Mass of molecular ion:    214)
    

       Source Temperature: 140 °C
       Sample Temperature: 110 °C
       Direct, 75 eV
    

          18.0       2.0
          39.0       2.6
          50.0       1.6
          51.0       6.1
          63.0       1.4
          64.0       1.1
          65.0       4.5
          77.0       6.1
          92.0       3.1
          93.0       6.7
          94.0       4.9
         115.0       2.5
         120.0       7.1
         121.0     100.0
         122.0       7.9
         139.0       2.5
         141.0       2.7
         168.0       2.6
         169.0       2.0
         197.0       5.7
         214.0      48.6
         215.0       7.1
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C13 H10 O3 0.038 g : 0.5 ml CDCl3
    o-phenoxybenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11. B 8.133 C 7.470 D 7.382 E 7.19 F 7.064 G 6.885

         Hz     ppm     Int.
    

       3255.60   8.147    416
       3253.95   8.143    438
       3247.73   8.127    450
       3246.08   8.123    448
       2994.77   7.494    279
       2992.94   7.489    286
       2987.45   7.476    354
       2986.53   7.473    380
       2985.80   7.472    373
       2984.70   7.469    365
       2979.20   7.455    379
       2977.37   7.450    367
       2961.25   7.410     88
       2959.05   7.405    494
       2958.32   7.403    264
       2956.86   7.399    225
       2955.21   7.395     62
       2954.11   7.392    127
       2952.46   7.388    292
       2951.54   7.386    815
       2950.63   7.384    745
       2948.25   7.378    151
       2944.95   7.369    297
       2943.85   7.367    325
       2942.94   7.364    760
       2940.55   7.358    118
       2881.76   7.211    476
       2881.21   7.210    527
       2880.84   7.209    509
       2877.91   7.202     58
       2874.43   7.193    654
       2873.88   7.191   1000
       2872.97   7.189    702
       2869.85   7.181     58
       2867.47   7.175    200
       2866.56   7.173    527
       2865.46   7.170    441
       2829.56   7.081    149
       2829.01   7.079    165
       2827.72   7.076    795
       2826.63   7.073    991
       2825.89   7.071    562
       2824.43   7.068    277
       2820.95   7.059    280
       2820.03   7.057    464
       2818.93   7.054    836
       2818.02   7.052    742
       2815.27   7.045     98
       2756.29   6.897    490
       2755.37   6.895    513
       2747.86   6.876    465
       2746.95   6.874    472
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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