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39920-37-1

2,6-二氯苯基异氰酸酯(39920-37-1)质谱(MS)

分子式:C7H3Cl2NO

分子量: 188.01

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

InChIKey: HMVKMAMIRAVXAN-UHFFFAOYSA-N

Smiles:C1(Cl)=CC=CC(Cl)=C1N=C=O

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    Mass

    MS-NW-7548          
    2,6-dichlorophenyl isocyanate
    C7H3Cl2NO           (Mass of molecular ion:    187)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          28.0       1.7
          36.0       1.7
          37.0       7.6
          38.0       5.9
          39.0       3.8
          44.0       1.1
          44.5       1.6
          47.0       3.3
          48.0       2.1
          49.0       5.7
          50.0       3.8
          51.0       2.8
          60.0       1.9
          61.0       5.9
          61.5       1.8
          62.0       6.8
          63.0       6.0
          64.0       4.6
          72.0       3.1
          73.0      10.0
          74.0       3.8
          75.0       4.1
          76.0       1.2
          79.5       2.8
          80.5       1.8
          84.0       1.7
          86.0       1.6
          87.0       3.0
          88.0       8.1
          89.0       1.3
          93.5       3.8
          94.5       2.5
          97.0       5.7
          98.0       4.5
          99.0       2.3
         100.0       1.7
         109.0       1.1
         124.0      58.4
         125.0       4.4
         126.0      19.0
         127.0       1.4
         159.0      21.6
         160.0       1.9
         161.0      13.9
         162.0       1.2
         163.0       2.4
         187.0     100.0
         188.0       8.2
         189.0      65.5
         190.0       5.4
         191.0      10.5
    

parameter in DMSO-d6

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    1H NMR 300 MHz
    C7 H3 Cl2 N O saturated in DMSO-d6 at 50C
    2,6-dichlorophenyl isocyanate
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.478 D(B) 7.276 J(A,B) 8.14

         Hz     ppm     Int.
    

       2247.53   7.492    650
       2239.61   7.465   1000
       2190.36   7.301    340
       2182.77   7.276    308
       2181.75   7.272    297
       2174.16   7.247    201
    

in DMSO-d6

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KBr disc

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nujol mull

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4880 A,200 M,powder

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