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56363-84-9

2-氯-4-羟基苯甲酸(56363-84-9)质谱(MS)

分子式:C7H5ClO3

分子量: 172.57

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

InChIKey: WIPYZRZPNMUSER-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=C(O)C=C1Cl

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    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

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    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

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KBr disc

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nujol mull

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