2,6-二氯苯基異氰酸酯(39920-37-1)Raman光譜

產(chǎn)品名稱:2,6-二氯苯基異氰酸酯

CAS:39920-37-1

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

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

¹H NMR	300 MHz
C₇ H₃ Cl₂ N O	saturated in DMSO-d₆ at 50C
2,6-dichlorophenyl isocyanate

    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