Pentachloropyridine(2176-62-7) ¹³C NMR

Product NamePentachloropyridine

CAS 2176-62-7

Molecular FormulaC5Cl5N

Molecular Weight251.33

InChIInChI=1S/C5Cl5N/c6-1-2(7)4(9)11-5(10)3(1)8

InChIKey DNDPLEAVNVOOQZ-UHFFFAOYSA-N

SmilesC1(Cl)=NC(Cl)=C(Cl)C(Cl)=C1Cl

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¹³CNMR

IR1

IR2

Mass

MS-NW-7452          
pentachloropyridine
C5Cl5N              (Mass of molecular ion:    249)

   Source Temperature: 130 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      12.0       1.0
      18.0       3.0
      35.0       2.4
      36.0       3.3
      38.0       3.3
      47.0       9.3
      48.0       2.3
      49.0       2.9
      59.0       1.3
      62.0       2.7
      71.0       4.5
      73.0       2.3
      74.0       7.9
      76.5       2.0
      77.5       2.1
      83.0       6.1
      85.0       3.9
      89.5       1.1
      90.5       1.0
      94.0      15.8
      95.0      13.1
      96.0       9.5
      97.0       2.7
     106.0       2.8
     108.0       2.3
     109.0      15.6
     110.0       1.1
     111.0       5.4
     118.0      14.0
     120.0       9.7
     122.0       1.8
     124.5       1.8
     125.5       2.7
     126.5       1.8
     132.0       1.3
     141.0       1.1
     143.0       1.0
     144.0       6.3
     146.0       4.0
     153.0      10.0
     155.0       9.5
     157.0       3.1
     179.0      11.0
     181.0      10.4
     183.0       3.3
     188.0       2.0
     190.0       2.6
     192.0       1.2
     214.0      25.8
     215.0       1.6
     216.0      32.1
     217.0       1.9
     218.0      16.2
     219.0       1.0
     220.0       3.7
     249.0      62.2
     250.0       3.9
     251.0     100.0
     252.0       6.0
     253.0      63.0
     254.0       3.9
     255.0      20.6
     256.0       1.3
     257.0       3.3

in CDCl3