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17564-64-6

N-氯甲基邻苯二甲酰亚胺(17564-64-6)Raman光谱

分子式:C9H6ClNO2

分子量: 195.6

InChI:InChI=1S/C9H6ClNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2

InChIKey: JKGLRGGCGUQNEX-UHFFFAOYSA-N

Smiles:C1(=O)C2=C(C=CC=C2)C(=O)N1CCl

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    Mass

    MS-NW-9877          
    N-(chloromethyl)phthalimide
    C9H6ClNO2           (Mass of molecular ion:    195)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          38.0       1.9
          50.0       6.9
          51.0       2.0
          52.0       4.0
          66.0       9.2
          74.0       2.8
          75.0       3.4
          76.0      11.6
          77.0       7.0
          80.0       1.0
         104.0      10.3
         105.0       4.0
         130.0       1.7
         132.0       2.6
         133.0       6.9
         147.0       1.7
         160.0     100.0
         161.0      10.5
         195.0       3.0
         197.0       1.0
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C9 H6 Cl N O2 0.034 g : 0.5 ml CDCl3
    N-(chloromethyl)phthalimide
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.941 B 7.808 C 5.513

         Hz     ppm     Int.
    

       3178.47   7.954    242
       3175.42   7.946    240
       3173.10   7.940    217
       3169.92   7.932    321
       3166.02   7.922     34
       3164.79   7.919     26
       3129.64   7.831     26
       3128.54   7.829     31
       3124.63   7.819    311
       3121.70   7.812    215
       3119.14   7.805    232
       3116.09   7.798    242
       3112.30   7.788     23
       2203.37   5.514   1000
    

in CDCl3

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KBr disc

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nujol mull

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