88-82-4

2,3,5-三碘苯甲酸(88-82-4)核磁图(¹HNMR)

产品名称:2,3,5-三碘苯甲酸

CAS:88-82-4

分子式:C7H3I3O2

分子量: 499.81

InChI:InChI=1S/C7H3I3O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)

InChIKey: ZMZGFLUUZLELNE-UHFFFAOYSA-N

Smiles:C(O)(=O)C1=CC(I)=CC(I)=C1I

Mass

MS-NW-2421          
2,3,5-triiodobenzoic acid
C7H3I3O2            (Mass of molecular ion:    500)

   Source Temperature: 240 °C
   Sample Temperature: 140 °C
   Direct, 75 eV

      17.0       1.3
      18.0       6.1
      28.0       2.1
      36.0       1.5
      37.0      10.9
      38.0       6.3
      39.0       2.0
      44.0       4.2
      45.0       5.4
      49.0       4.5
      50.0       4.8
      53.0       3.5
      61.0       3.6
      62.0       9.0
      63.0      29.5
      63.5       1.2
      64.0       3.7
      72.0       2.1
      73.0      24.5
      74.0     100.0
      75.0      35.1
      76.0       3.0
      77.0       1.0
      90.0       6.9
      91.0      42.2
      92.0       7.0
     101.0       1.3
     118.0       2.2
     119.0       8.5
     120.0       1.3
     127.0      25.5
     128.0      13.3
     152.0       2.2
     164.0       1.5
     176.0       4.4
     179.0       1.9
     189.0       7.6
     190.0       5.8
     191.0       2.4
     200.0       3.8
     201.0      23.7
     202.0       4.3
     217.0       4.0
     218.0      53.9
     219.0       4.3
     245.0       9.6
     246.0       9.9
     247.0       3.6
     250.0       3.7
     254.0       6.5
     317.0       3.3
     328.0       2.8
     329.0       1.0
     345.0       1.1
     373.0       5.9
     374.0       6.5
     483.0       3.1
     500.0      29.7
     501.0       2.3

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₇ H₃ I₃ O₂	0.042 g : 0.5 ml DMSO-d₆
2,3,5-triiodobenzoic acid

    Assign.     Shift(ppm)

      A            14.
      B             8.342
      C             7.760
     
     J(B,C)=2.0HZ

     Hz     ppm     Int.

   3334.96   8.345    986
   3333.01   8.340    988
   3102.54   7.764   1000
   3100.59   7.759    971

in DMSO-d6

KBr disc

nujol mull

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2,3,5-三碘苯甲酸(88-82-4)核磁图(1HNMR)

2,3,5-三碘苯甲酸(88-82-4)核磁图(¹HNMR)