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

¹HNMR

¹³CNMR

IR1

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

¹H NMR	399.65 MHz
C₉ H₉ I O₂	0.05 ml : 0.5 ml CDCl₃
ethyl m-iodobenzoate

    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