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Back ChemicalBook Home>CAS DataBase List>56363-84-9More Spectrum> 2-Chloro-4-hydroxybenzoic acid(56363-84-9) 13C NMR

2-Chloro-4-hydroxybenzoic acid(56363-84-9) 13C NMR

Molecular FormulaC7H5ClO3

Molecular Weight172.57

InChIInChI=1S/C7H5ClO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11)

InChIKey WIPYZRZPNMUSER-UHFFFAOYSA-N

SmilesC(O)(=O)C1=CC=C(O)C=C1Cl


  • Mass

    MS-IW-3862          
    2-chloro-4-hydroxybenzoic acid
    C7H5ClO3            (Mass of molecular ion:    172)
    

       Source Temperature: 160 °C
       Sample Temperature: 150 °C
       Direct, 75 eV
    

          17.0       1.0
          18.0       4.5
          28.0       1.4
          36.0       1.0
          37.0       2.4
          38.0       2.6
          39.0       3.7
          45.0       1.8
          49.0       1.4
          50.0       2.0
          51.0       2.7
          52.0       1.5
          53.0       4.0
          61.0       3.2
          62.0       5.6
          63.0      13.1
          64.0       3.2
          65.0       2.4
          69.0       1.0
          72.0       5.3
          73.0       8.1
          74.0       2.0
          75.0       2.6
          77.5       1.3
          80.0       1.2
          81.0       1.3
          92.0       2.1
          99.0      12.8
         100.0       1.0
         101.0       4.1
         121.0       1.3
         126.0       1.2
         127.0      10.3
         128.0       1.8
         129.0       3.4
         138.0       1.0
         144.0       1.2
         155.0     100.0
         156.0       8.0
         157.0      33.1
         158.0       2.6
         172.0      71.5
         173.0       6.4
         174.0      23.5
         175.0       2.3
    

400 MHz in DMSO-d6


  • 1H NMR 399.65 MHz
    C7 H5 Cl O3 0.031 g : 0.5 ml DMSO-d6
    2-chloro-4-hydroxybenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    B 7.779 C 6.897 D 6.807 J(B,D) = 8.6 HZ J(C,D) = 2.4 HZ

         Hz     ppm     Int.
    

       3113.65   7.791    859
       3109.07   7.780     22
       3108.15   7.778     29
       3105.04   7.770    918
       2757.75   6.901    872
       2755.37   6.895   1000
       2726.07   6.822    515
       2723.69   6.816    446
       2717.46   6.800    497
       2715.08   6.794    458
    

in DMSO-d6



KBr disc



nujol mull



2-Chloro-4-hydroxybenzoic acid(56363-84-9) 13C NMR Atlas of Related Products

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