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返回ChemicalBook首页>CAS数据库列表>619-14-7更多图谱> 3-羟基-4-硝基苯甲酸(619-14-7)红外图谱(IR1)

619-14-7

3-羟基-4-硝基苯甲酸(619-14-7)红外图谱(IR1)

分子式:C7H5NO5

分子量: 183.12

InChI:InChI=1S/C7H5NO5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)

InChIKey: XLDLRRGZWIEEHT-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=C([N+]([O-])=O)C(O)=C1

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    Mass

    MS-NW-6935          
    3-hydroxy-4-nitrobenzoic acid
    C7H5NO5             (Mass of molecular ion:    183)
    

       Source Temperature: 200 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          18.0       3.5
          26.0       1.0
          27.0       4.0
          28.0       2.4
          29.0       1.7
          30.0       6.2
          37.0       3.0
          38.0       6.4
          39.0      12.0
          41.0       1.7
          45.0       4.6
          50.0       3.8
          51.0       6.8
          52.0       4.0
          53.0      12.8
          54.0       1.1
          55.0       3.8
          61.0       3.3
          62.0       8.7
          63.0      19.9
          64.0       5.5
          65.0       1.7
          66.0       1.6
          69.0       4.5
          74.0       1.3
          75.0       1.3
          76.0       1.1
          77.0       1.5
          78.0       1.2
          79.0       2.6
          80.0       3.4
          81.0      12.7
          82.0       1.0
          91.0       5.6
          92.0       2.5
          93.0       2.1
          96.0       1.1
          97.0       9.3
         107.0       2.1
         108.0       4.9
         109.0       5.2
         119.0      12.5
         120.0       3.0
         121.0       3.0
         122.0       1.4
         125.0       8.3
         136.0       3.9
         137.0       2.9
         138.0       5.8
         150.0       1.0
         153.0      13.5
         154.0       1.1
         166.0       4.5
         183.0     100.0
         184.0       8.3
         185.0       1.4
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C7 H5 N O5 0.040 g : 0.5 ml DMSO-d6
    3-hydroxy-4-nitrobenzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 11.4 B 7.955 C 7.707 D 7.505

         Hz     ppm     Int.
    

       4569.09  11.433     58
       3183.84   7.967    902
       3175.29   7.946    984
       3081.30   7.710    996
       3079.59   7.706   1000
       3004.64   7.519    609
       3002.93   7.514    584
       2996.09   7.497    547
       2994.38   7.493    530
    

in DMSO-d6

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KBr disc

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nujol mull

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