2,3-二氯-5-三氟甲基吡啶(69045-84-7)核磁圖(¹³CNMR)

產品名稱:2,3-二氯-5-三氟甲基吡啶

CAS:69045-84-7

分子式:C6H2Cl2F3N

分子量: 215.99

InChI:InChI=1S/C6H2Cl2F3N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H

InChIKey: ABNQGNFVSFKJGI-UHFFFAOYSA-N

Smiles:C1(Cl)=NC=C(C(F)(F)F)C=C1Cl

Mass

MS-IW-4768          
2,3-dichloro-5-(trifluoromethyl)pyridine
C6H2Cl2F3N          (Mass of molecular ion:    215)

   Source Temperature: 210 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      28.0       1.5
      31.0       2.0
      37.0       1.2
      49.0       2.1
      50.0       3.2
      51.0       2.4
      60.0       1.9
      62.0       1.2
      67.0       3.0
      68.0       1.0
      69.0      18.4
      74.0       1.0
      75.0       9.5
      76.0       4.5
      80.5       1.0
      84.0       3.2
      85.0       5.9
      86.0       1.9
      87.0       2.0
      91.0       1.4
      93.0       1.5
      94.0       2.2
      95.0       1.2
      98.0       1.4
      99.0       2.0
     107.5       1.3
     109.0       2.6
     110.0       4.0
     111.0       1.5
     112.0       1.3
     119.0       2.3
     126.0       1.4
     130.0       3.1
     132.0       1.0
     133.0       1.7
     144.0       2.5
     146.0       1.3
     153.0       4.9
     155.0       1.6
     160.0      14.7
     161.0       1.2
     162.0       5.0
     165.0       2.3
     167.0       1.5
     180.0      65.4
     181.0       5.2
     182.0      20.9
     183.0       1.7
     196.0       9.0
     197.0       1.0
     198.0       6.0
     215.0     100.0
     216.0       7.5
     217.0      64.6
     218.0       4.7
     219.0      10.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₂ Cl₂ F₃ N	0.05 ml : 0.5 ml CDCl₃
2,3-dichloro-5-(trifluoromethyl)pyridine

    Assign.     Shift(ppm)

      A             8.591
      B             8.034

     Hz     ppm     Int.

   3435.06   8.596    768
   3434.20   8.594    843
   3432.86   8.590    827
   3432.01   8.588    723
   3426.03   8.573     23
   3425.29   8.571     20
   3212.40   8.039   1000
   3211.79   8.037    991
   3211.06   8.035    717
   3210.21   8.033    971
   3209.59   8.032    904
   3203.37   8.016     22
   3202.88   8.015     21

in CDCl3