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625-95-6

间碘甲苯(625-95-6)核磁图(13CNMR)

产品名称:间碘甲苯

CAS:625-95-6

分子式:C7H7I

分子量: 218.04

InChI:InChI=1S/C7H7I/c1-6-3-2-4-7(8)5-6/h2-5H,1H3

InChIKey: VLCPISYURGTGLP-UHFFFAOYSA-N

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

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    Mass

    MS-NW-4188          
    m-iodotoluene
    C7H7I               (Mass of molecular ion:    218)
    

       Source Temperature: 230 °C
       Sample Temperature: 180 °C
       Reservoir, 75 eV
    

          27.0       1.3
          37.0       1.1
          38.0       2.7
          39.0      13.4
          40.0       1.2
          41.0       3.2
          50.0       5.3
          51.0       5.5
          52.0       1.7
          61.0       1.5
          62.0       4.0
          63.0      10.7
          64.0       3.8
          65.0      35.4
          66.0       2.0
          74.0       1.4
          75.0       1.1
          89.0      10.3
          90.0       6.1
          91.0     100.0
          92.0       7.4
         109.0       1.7
         127.0       2.9
         217.0       1.0
         218.0      96.8
         219.0       7.5
    

parameter in CDCl3

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    1H NMR 300 MHz
    C7 H7 I 5.0 mol% in CCl4
    m-iodotoluene
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.031 D(B) 6.896 D(C) 7.419 D(D) 7.475 J(A,B) 7.59 J(A,C) 1.11 J(A,D) 1.70 J(B,C) 7.87 J(B,D) 0.36 J(C,D) 1.68 D(E) 2.28 YAMAMOTO,O. ET AL. ANAL.CHEM. 44, 1794 (1972) SMALL LONG RANGE COUPLINGS EXIST BETWEEN CH3(E) AND AROMATIC PROTONS

         Hz     ppm     Int.
    

       2244.19   7.481     69
       2242.55   7.475    140
       2240.96   7.470     84
       2231.06   7.437     52
       2229.85   7.433     66
       2228.26   7.428     42
       2223.29   7.411     55
       2222.08   7.407     69
       2220.49   7.402     48
       2114.85   7.049     40
       2113.65   7.045     52
       2113.26   7.044     51
       2112.05   7.040     40
       2107.27   7.024     60
       2106.07   7.020     74
       2105.68   7.019     75
       2104.47   7.015     56
       2076.04   6.920     84
       2068.36   6.895    128
       2060.73   6.869     50
        684.01   2.280   1000
    

in CDCl3

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liquid film

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GAMMA-RAY IRRAD., ADSORBED ON SILICA-GEL, 77K

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