2-氯-5-三氟甲基吡啶(52334-81-3)Raman光譜

產(chǎn)品名稱:2-氯-5-三氟甲基吡啶

CAS:52334-81-3

分子式:C6H3ClF3N

分子量: 181.54

InChI:InChI=1S/C6H3ClF3N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H

InChIKey: JFZJMSDDOOAOIV-UHFFFAOYSA-N

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

Mass

MS-IW-1768          
2-chloro-5-(trifluoromethyl)pyridine
C6H3ClF3N           (Mass of molecular ion:    181)

   Source Temperature: 260 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      26.0       1.2
      28.0       2.4
      31.0       2.3
      37.0       1.4
      38.0       1.5
      49.0       2.2
      50.0       8.8
      51.0       5.8
      52.0       1.9
      57.0       2.2
      60.0       1.6
      62.0       1.0
      63.5       1.1
      68.0       1.0
      69.0      15.9
      70.0       1.1
      75.0      14.5
      76.0       7.2
      77.0       2.6
      81.0       1.2
      85.0       2.5
      87.0       1.0
      95.0       1.0
      96.0       3.5
      99.0       3.1
     100.0       1.8
     112.0       1.1
     119.0       6.1
     120.0       1.0
     126.0      32.6
     127.0       2.9
     131.0       1.1
     146.0      95.6
     147.0       6.7
     162.0      11.8
     164.0       4.1
     181.0     100.0
     182.0       7.1
     183.0      32.2
     184.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₃ Cl F₃ N	0.042 g : 0.5 ml CDCl₃
2-chloro-5-(trifluoromethyl)pyridine

    Assign.     Shift(ppm)

      A             8.689
      B             7.904
      C             7.497

     Hz     ppm     Int.

   3473.88   8.693    736
   3473.14   8.691    731
   3472.29   8.689    736
   3471.44   8.687    768
   3465.70   8.672     34
   3165.41   7.921    504
   3164.79   7.919    525
   3162.96   7.915    512
   3162.35   7.913    514
   3157.10   7.900    575
   3156.49   7.899    599
   3154.54   7.894    576
   3153.93   7.892    576
   3000.85   7.509    720
   3000.24   7.508   1000
   2999.51   7.506    772
   2996.09   7.497     42
   2992.55   7.488    652
   2991.82   7.487    932
   2991.09   7.485    691

in CDCl3