101-20-2

三氯卡班(101-20-2)核磁图(¹HNMR)

产品名称:三氯卡班

CAS:101-20-2

分子式:C13H9Cl3N2O

分子量: 315.58

InChI:InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)

InChIKey: ICUTUKXCWQYESQ-UHFFFAOYSA-N

Smiles:N(C1=CC=C(Cl)C=C1)C(NC1=CC=C(Cl)C(Cl)=C1)=O

Mass

MS-NW-8284          
1-(p-chlorophenyl)-3-(3,4-dichlorophenyl)urea
C13H9Cl3N2O         (Mass of molecular ion:    314)

   Source Temperature: 190 °C
   Sample Temperature: 170 °C
   Direct, 75 eV

      18.0       2.2
      28.0       2.0
      36.0       1.3
      37.0       1.6
      38.0       2.7
      39.0       4.2
      41.0       1.6
      44.5       1.1
      45.5       1.0
      49.0       1.3
      50.0       2.5
      51.0       1.7
      52.0       1.8
      61.0       2.1
      62.0       4.6
      62.5       1.0
      63.0      10.5
      64.0       5.1
      65.0       9.1
      66.0       1.2
      72.0       1.1
      73.0       6.1
      74.0       2.7
      75.0       7.0
      76.0       1.4
      85.0       1.0
      88.0       1.9
      89.0       2.3
      90.0      12.8
      91.0       5.1
      92.0       7.7
      97.0       2.1
      98.0       1.9
      99.0      13.8
     100.0       5.6
     101.0       4.6
     102.0       1.7
     109.0       2.4
     111.0       4.5
     113.0       1.2
     124.0       8.3
     125.0      11.3
     126.0      15.2
     127.0     100.0
     128.0      10.7
     129.0      31.1
     130.0       2.2
     133.0       3.5
     134.0       1.9
     135.0       2.3
     136.0       1.2
     145.0       1.6
     147.0       1.0
     153.0      13.7
     154.0       2.3
     155.0       4.5
     159.0       4.0
     160.0       3.9
     161.0      85.9
     162.0       8.4
     163.0      53.9
     164.0       4.3
     165.0       8.7
     187.0      12.4
     188.0       1.5
     189.0       7.9
     191.0       1.3
     314.0      20.1
     315.0       3.2
     316.0      19.3
     317.0       2.9
     318.0       6.3