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Back ChemicalBook Home>CAS DataBase List>2215-77-2More Spectrum> 4-PHENOXYBENZOIC ACID(2215-77-2) 1H NMR

2215-77-2

4-PHENOXYBENZOIC ACID(2215-77-2) 1H NMR

Molecular FormulaC13H10O3

Molecular Weight214.22

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

InChIKey RYAQFHLUEMJOMF-UHFFFAOYSA-N

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

  • 4-PHENOXYBENZOIC ACID(2215-77-2) <sup>1</sup>H NMR
    Mass

    MS-IW-1325          
    p-phenoxybenzoic acid
    C13H10O3            (Mass of molecular ion:    214)
    

       Source Temperature: 170 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          39.0       1.1
          50.0       1.1
          51.0       3.3
          65.0       1.6
          77.0       6.1
         115.0       2.9
         139.0       1.3
         140.0       1.0
         141.0       9.4
         142.0       2.5
         168.0       3.9
         169.0       9.9
         170.0       1.4
         186.0       4.5
         197.0      28.7
         198.0       4.2
         213.0       1.4
         214.0     100.0
         215.0      14.5
         216.0       1.6
    

400 MHz in CDCl3

  • 4-PHENOXYBENZOIC ACID(2215-77-2) <sup>1</sup>H NMR

    1H NMR 399.65 MHz
    C13 H10 O3 0.034 g : 0.5 ml CDCl3
    p-phenoxybenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.08 B 7.405 C 7.212 D 7.088 E 7.030

         Hz     ppm     Int.
    

       3229.25   8.081    414
       2968.02   7.427    462
       2960.21   7.408   1000
       2952.39   7.388    659
       2889.16   7.230    349
       2881.84   7.211    561
       2874.51   7.193    266
       2836.79   7.099    928
       2828.98   7.079    872
       2821.53   7.061    197
       2813.60   7.041    656
       2805.79   7.021    635
       2790.77   6.984     62
       2790.41   6.983     59
    

in CDCl3

  • 4-PHENOXYBENZOIC ACID(2215-77-2) <sup>1</sup>H NMR

KBr disc

  • 4-PHENOXYBENZOIC ACID(2215-77-2) <sup>1</sup>H NMR

nujol mull

  • 4-PHENOXYBENZOIC ACID(2215-77-2) <sup>1</sup>H NMR

4-PHENOXYBENZOIC ACID(2215-77-2) 1H NMR Atlas of Related Products

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