鄰氨基苯甲酸(118-92-3)質(zhì)譜(MS)

產(chǎn)品名稱:鄰氨基苯甲酸

CAS:118-92-3

分子式:C7H7NO2

分子量: 137.14

InChI:InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)

InChIKey: RWZYAGGXGHYGMB-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC=CC=C1N

Mass

MS2017-05454CM      
anthranilic acid
C7H7NO2             (Mass of molecular ion:    137)

   Source Temperature: 245 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      28.0       1.5
      37.0       1.6
      38.0       3.7
      39.0       6.6
      40.0       1.2
      41.0       2.0
      45.0       4.4
      45.5       1.6
      46.0       1.0
      50.0       2.3
      51.0       1.8
      52.0       5.9
      53.0       2.0
      54.0       1.1
      59.5       1.4
      60.0       1.1
      61.0       1.8
      62.0       3.3
      63.0       8.7
      64.0      10.4
      65.0      16.6
      66.0       3.0
      74.0       1.1
      76.0       1.6
      90.0       2.7
      91.0      13.2
      92.0      51.0
      93.0       4.3
     119.0     100.0
     120.0      10.7
     137.0      69.8
     138.0       5.7

90 MHz in DMSO-d6

in DMSO-d6

¹H NMR	89.56 MHz
C₇ H₇ N O₂	0.042 g : 0.5 ml DMSO-d₆
anthranilic acid

    Assign.     Shift(ppm)

      A             8.4
      B             7.72
      C             7.23
      D             6.761
      E             6.524
      F             3.6
     
     J(B,C)=1.6HZ. J(B,E)=8.0HZ. J(C,D)=8.3HZ. J(D,E)=1.3HZ.

     Hz     ppm     Int.

    696.39   7.776    674
    696.00   7.772    662
    694.73   7.758    778
    688.38   7.687    789
    687.99   7.682    784
    686.72   7.668    848
    656.54   7.331    402
    654.79   7.312    393
    649.61   7.254    558
    648.14   7.237    791
    646.48   7.219    562
    641.21   7.160    722
    639.55   7.142    627
    609.18   6.802    917
    608.40   6.794   1000
    600.88   6.710    677
    600.00   6.700    618
    591.60   6.606    686
    590.33   6.592    540
    584.67   6.529    676
    583.59   6.517    926
    582.42   6.504    518
    576.76   6.440    489
    575.49   6.426    405

in DMSO-d6

CCl4 solution

OXIDATION WITH PERBENZOIC ACID IN DIOXANE

OXIDATION WITH PBA IN ETHANOL

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