2505-31-9

异氰酸-2,4,6-三氯苯酯(2505-31-9)红外图谱(IR1)

产品名称:异氰酸-2,4,6-三氯苯酯

CAS:2505-31-9

分子式:C7H2Cl3NO

分子量: 222.46

InChI:InChI=1S/C7H2Cl3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H

InChIKey: VDYWXVDWKFAUKE-UHFFFAOYSA-N

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

IR1

IR2

Mass

MS2007-03476WA      
isocyanic acid 2,4,6-trichlorophenyl ester
C7H2Cl3NO           (Mass of molecular ion:    221)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      18.0       2.2
      35.0       1.1
      37.0       3.7
      38.0       1.1
      47.0       3.1
      49.0       2.0
      50.0       2.5
      51.0       2.1
      60.0       2.8
      61.0       8.0
      61.5       1.2
      62.0       4.0
      63.0       2.7
      71.0       2.2
      72.0       5.3
      73.0       5.8
      74.0       3.3
      75.0       2.7
      76.0       1.6
      83.0       2.6
      84.0       2.9
      85.0       2.0
      86.0       4.2
      87.0       9.0
      88.0      11.7
      95.0       1.2
      96.0       1.9
      96.5       1.0
      97.0       3.4
      97.5       1.0
      98.0       8.8
      99.0       1.6
     100.0       2.7
     106.0       1.4
     107.0       4.8
     108.0       3.1
     109.0       3.6
     110.0       2.1
     110.5       2.7
     111.0       1.1
     111.5       2.6
     121.0       1.1
     122.0       5.8
     123.0       1.3
     124.0       2.0
     131.0       3.0
     132.0       1.5
     133.0       2.1
     134.0       1.0
     158.0      71.7
     159.0       5.1
     160.0      45.9
     161.0       3.2
     162.0       7.4
     167.0       1.4
     193.0      14.7
     194.0       1.4
     195.0      14.5
     196.0       1.1
     197.0       4.8
     221.0     100.0
     222.0       7.9
     223.0      96.1
     224.0       7.6
     225.0      30.7
     226.0       2.5
     227.0       3.4

KBr disk