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58313-23-8

3-碘苯甲酸乙酯(58313-23-8)红外图谱(IR1)

产品名称:3-碘苯甲酸乙酯

CAS:58313-23-8

分子式:C9H9IO2

分子量: 276.07

InChI:InChI=1S/C9H9IO2/c1-2-12-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

InChIKey: POGCXCWRMMXDAQ-UHFFFAOYSA-N

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

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    Mass

    MS-KW-0169          
    ethyl m-iodobenzoate
    C9H9IO2             (Mass of molecular ion:    276)
    

       Source Temperature: 220 °C
       Sample Temperature: 150 °C
       Reservoir, 75 eV
    

          26.0       1.3
          27.0       4.9
          28.0       3.7
          29.0       8.5
          38.0       1.0
          39.0       1.7
          45.0       5.1
          50.0      20.1
          51.0       3.4
          65.0       8.7
          74.0       6.4
          75.0       9.2
          76.0      44.1
          77.0       7.0
          93.0       1.3
         103.0       3.0
         104.0       5.5
         105.0       2.8
         115.5       1.3
         121.0       7.1
         127.0       2.2
         128.0       2.5
         131.0       1.8
         149.0       6.8
         203.0      30.9
         204.0       2.6
         231.0     100.0
         232.0      11.9
         248.0      44.7
         249.0       3.6
         258.0       1.9
         261.0       1.1
         276.0      59.9
         277.0       6.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H9 I O2 0.05 ml : 0.5 ml CDCl3
    ethyl m-iodobenzoate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.367 B 7.997 C 7.860 D 7.168 E 4.372 F 1.390

         Hz     ppm     Int.
    

       3345.70   8.372    209
       3344.12   8.368    314
       3342.65   8.364    175
       3201.42   8.011    139
       3200.32   8.008    163
       3198.73   8.004    123
       3193.60   7.991    143
       3192.50   7.989    165
       3192.14   7.988    161
       3190.92   7.985    122
       3146.61   7.874    141
       3145.51   7.871    153
       3144.78   7.869    143
       3143.68   7.867    120
       3138.79   7.854    145
       3137.57   7.851    152
       3136.96   7.850    152
       3135.86   7.847    118
       2872.07   7.187    163
       2864.26   7.167    289
       2856.45   7.148    141
       1758.06   4.399    186
       1750.98   4.382    526
       1743.77   4.364    524
       1736.69   4.346    186
        562.62   1.408    554
        555.54   1.391   1000
        548.34   1.373    531
    

in CDCl3

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Liquid film

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