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41195-90-8

2,3-二氯苯基异氰酸酯(41195-90-8)Raman光谱

分子式:C7H3Cl2NO

分子量: 188.01

InChI:InChI=1S/C7H3Cl2NO/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3H

InChIKey: FYWJWWMKCARWQG-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC(N=C=O)=C1Cl

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    Mass

    MS-IW-3730          
    2,3-dichlorophenyl isocyanate
    C7H3Cl2NO           (Mass of molecular ion:    187)
    

       Source Temperature: 220 °C
       Sample Temperature: 160 °C
       Reservoir, 75 eV
    

          28.0       1.6
          36.0       2.2
          37.0       5.4
          38.0       4.7
          39.0       3.1
          44.0       1.3
          44.5       2.2
          47.0       2.5
          48.0       1.9
          49.0       5.1
          50.0       3.1
          51.0       2.0
          60.0       1.6
          61.0       5.9
          61.5       2.3
          62.0       8.5
          63.0       6.0
          64.0       3.4
          72.0       3.3
          73.0       8.5
          74.0       4.5
          75.0       4.2
          79.5       3.9
          80.5       2.6
          84.0       2.8
          85.0       1.4
          86.0       2.0
          87.0       3.0
          88.0       8.6
          89.0       1.8
          93.5       5.5
          94.5       3.5
          96.0       1.1
          97.0       8.3
          98.0       4.8
          99.0       3.1
         100.0       1.7
         109.0       1.6
         123.0       1.2
         124.0      59.7
         125.0       4.5
         126.0      19.3
         127.0       1.3
         159.0      22.0
         160.0       2.0
         161.0      14.1
         162.0       1.0
         163.0       2.2
         187.0     100.0
         188.0       8.1
         189.0      64.4
         190.0       5.2
         191.0      10.5
    

400 MHz in CDCl3

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    1H NMR 399.65 MHz
    C7 H3 Cl2 N O 0.05 ml : 0.5 ml CDCl3
    2,3-dichlorophenyl isocyanate
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.257 B 7.114 C 6.999

         Hz     ppm     Int.
    

       2905.64   7.271    521
       2904.05   7.267    531
       2901.86   7.262     35
       2900.15   7.257     34
       2897.46   7.250    672
       2895.87   7.247    665
       2851.44   7.135    568
       2849.49   7.130     34
       2849.00   7.129     37
       2843.38   7.115   1000
       2835.33   7.095    586
       2801.39   7.010    663
       2799.80   7.006    654
       2793.33   6.990    497
       2791.75   6.986    484
       2789.31   6.980     32
    

in CDCl3

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liquid film

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