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74-11-3

对氯苯甲酸(74-11-3)Raman光谱

产品名称:对氯苯甲酸

CAS:74-11-3

分子式:C7H5ClO2

分子量: 156.57

InChI:InChI=1S/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)

InChIKey: XRHGYUZYPHTUJZ-UHFFFAOYSA-N

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

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    Mass

    MS-NW-1834          
    p-chlorobenzoic acid
    C7H5ClO2            (Mass of molecular ion:    156)
    

       Source Temperature: 250 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          18.0       2.7
          27.0       1.7
          28.0       1.0
          36.0       1.1
          37.0       6.1
          37.5       3.5
          38.0       9.3
          39.0       4.9
          45.0       3.5
          49.0       3.1
          50.0      26.3
          51.0      13.3
          52.0       1.2
          53.0       1.6
          55.5       2.6
          61.0       2.1
          62.0       1.2
          63.0       2.0
          64.0       3.8
          65.0       5.2
          69.5       2.1
          73.0       4.9
          74.0      15.1
          75.0      33.6
          76.0       8.7
          77.0       7.4
          84.0       1.5
          85.0       3.8
          87.0       1.2
         104.0       1.0
         110.0       1.9
         111.0      49.5
         112.0       4.3
         113.0      15.9
         114.0       1.2
         128.0       2.9
         139.0     100.0
         140.0       7.9
         141.0      32.8
         142.0       2.9
         156.0      85.3
         157.0       6.6
         158.0      28.1
         159.0       2.2
         173.0       1.0
         190.0       1.0
    

90 MHz in DMSO-d6

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    1H NMR 89.56 MHz
    C7 H5 Cl O2 0.043 g : 0.5 ml DMSO-d6
    p-chlorobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.965 B 7.580 C 5. COOH PEAK MAY CONTAIN H2O SIGNAL IN THE SOLVENT.

         Hz     ppm     Int.
    

        721.19   8.053     70
        718.85   8.027    666
        716.80   8.004    210
        715.72   7.992     39
        712.21   7.953    248
        710.06   7.929    897
        707.81   7.904    147
        706.35   7.887     28
        684.57   7.644    137
        682.32   7.619   1000
        680.18   7.595    256
        675.59   7.544    201
        674.02   7.526    492
        673.54   7.521    594
        671.19   7.495     71
    

DMSO-d6

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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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