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330-54-1

敌草隆(330-54-1)质谱(MS)

产品名称:敌草隆

CAS:330-54-1

分子式:C9H10Cl2N2O

分子量: 233.09

InChI:InChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)

InChIKey: XMTQQYYKAHVGBJ-UHFFFAOYSA-N

Smiles:N(C)(C)C(NC1=CC=C(Cl)C(Cl)=C1)=O

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    Mass

    MS-NW-1936          
    3-(3,4-dichlorophenyl)-1,1-dimethylurea
    C9H10Cl2N2O         (Mass of molecular ion:    232)
    

       Source Temperature: 190 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       5.5
          18.0       3.9
          28.0       3.2
          42.0       4.3
          43.0       1.6
          44.0      11.1
          45.0       4.3
          56.0       1.7
          61.0       1.3
          62.0       2.1
          63.0       2.0
          72.0     100.0
          73.0       4.0
          74.0       1.3
          75.0       1.1
          88.0       1.5
          97.0       1.7
         109.0       1.1
         124.0       7.3
         125.0       1.4
         126.0       2.5
         133.0       1.5
         159.0       3.4
         160.0       1.1
         161.0       3.0
         187.0      11.7
         188.0       1.1
         189.0       7.4
         191.0       1.3
         232.0      16.5
         233.0       1.9
         234.0      10.5
         235.0       1.0
         236.0       1.8
    

90 MHz in CDCl3

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    1H NMR 89.56 MHz
    C9 H10 Cl2 N2 O 0.046 g : 0.5 ml CDCl3
    3-(3,4-dichlorophenyl)-1,1-dimethylurea
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.59 B 7.28 C 7.22 D 6.45 E 3.015

         Hz     ppm     Int.
    

        680.94   7.604    111
        680.15   7.595    119
        679.36   7.586    121
        650.79   7.267    277
        647.86   7.234    140
        270.01   3.015   1000
    

in CDCl3

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KBr disc

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