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10541-83-0

4-甲氨基苯甲酸(10541-83-0)质谱(MS)

产品名称:4-甲氨基苯甲酸

CAS:10541-83-0

分子式:C8H9NO2

分子量: 151.16

InChI:InChI=1S/C8H9NO2/c1-9-7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)

InChIKey: ZVIDMSBTYRSMAR-UHFFFAOYSA-N

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

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    Mass

    MS-NW-2416          
    p-(methylamino)benzoic acid
    C8H9NO2             (Mass of molecular ion:    151)
    

       Source Temperature: 170 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       1.5
          17.0       1.1
          18.0       5.4
          27.0       2.4
          28.0       5.0
          30.0       4.5
          37.0       1.7
          38.0       3.7
          39.0       9.1
          40.0       1.1
          41.0       1.9
          42.0       2.9
          45.0       2.3
          50.0       6.3
          51.0       6.8
          51.5       1.0
          52.0       3.8
          52.5       2.6
          53.0       2.5
          54.0       1.3
          54.5       1.0
          55.0       1.1
          61.0       1.2
          61.5       3.4
          62.0       2.7
          63.0       6.4
          64.0       4.8
          65.0      21.6
          66.0       2.8
          66.5       2.8
          67.0       1.1
          74.0       3.1
          75.0       3.0
          76.0       3.3
          77.0      16.1
          78.0       6.5
          79.0      12.0
          80.0       1.9
          81.0       1.4
          90.0       1.7
          91.0       3.4
          92.0       9.3
          93.0       1.4
         104.0       4.9
         105.0       4.2
         106.0      14.3
         107.0       1.8
         108.0       1.9
         118.0       1.2
         120.0      22.3
         121.0       3.0
         122.0       1.2
         132.0       1.6
         134.0      45.2
         135.0       4.3
         137.0      22.5
         138.0       1.8
         148.0       3.4
         149.0       2.1
         150.0      52.0
         151.0     100.0
         152.0       9.1
         164.0      15.6
         165.0      15.0
         166.0       1.5
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C8 H9 N O2 0.037 g : 0.5 ml DMSO-d6
    p-(methylamino)benzoic acid
    ChemicalStructure
        Assign.     Shift(ppm)
    A 12.03 B 7.715 C 6.551 D 6.45 E 2.729 J(D,E)=4.6HZ

         Hz     ppm     Int.
    

       4808.48  12.032     98
       3097.16   7.750     22
       3096.61   7.749     22
       3088.00   7.727    820
       3086.17   7.723    297
       3081.04   7.710    288
       3079.21   7.705    884
       3076.83   7.699    123
       2635.58   6.595     22
       2622.39   6.562    851
       2620.56   6.558    317
       2615.43   6.545    275
       2613.42   6.540    783
       2611.04   6.534    120
       2593.09   6.489     21
       2592.72   6.488     22
       2581.92   6.461    142
       2577.34   6.449    140
       1092.95   2.735    979
       1088.38   2.724   1000
    

in DMSO-d6

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KBr disc

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nujol mull

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