Isocyanic acid 3,4-dichlorophenyl ester(102-36-3) IR1

Product NameIsocyanic acid 3,4-dichlorophenyl ester

CAS 102-36-3

Molecular FormulaC7H3Cl2NO

Molecular Weight188.01

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

InChIKey MFUVCHZWGSJKEQ-UHFFFAOYSA-N

SmilesC1(Cl)=CC=C(N=C=O)C=C1Cl

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Mass

MS-NW-6778          
3,4-dichlorophenyl isocyanate
C7H3Cl2NO           (Mass of molecular ion:    187)

   Source Temperature: 200 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      36.0       1.1
      37.0       3.9
      38.0       3.0
      39.0       1.3
      44.5       1.0
      47.0       1.8
      48.0       1.2
      49.0       2.7
      50.0       2.9
      51.0       1.2
      60.0       1.3
      61.0       5.1
      61.5       1.3
      62.0       6.6
      63.0       3.1
      64.0       2.8
      72.0       2.4
      73.0       5.9
      74.0       3.7
      75.0       2.5
      79.5       2.5
      80.5       1.7
      84.0       1.7
      86.0       1.3
      87.0       2.0
      88.0       6.2
      89.0       1.2
      93.5       4.2
      94.5       2.7
      97.0       6.1
      98.0       3.0
      99.0       2.3
     100.0       1.1
     109.0       1.1
     123.0       1.0
     124.0      41.7
     125.0       3.3
     126.0      13.5
     127.0       1.0
     132.0       1.0
     159.0      21.9
     160.0       1.9
     161.0      14.0
     162.0       1.1
     163.0       2.2
     187.0     100.0
     188.0       8.2
     189.0      63.5
     190.0       5.2
     191.0      10.6

in CDCl3