3678-62-4

2-氯-4-甲基吡啶(3678-62-4)质谱(MS)

产品名称:2-氯-4-甲基吡啶

CAS:3678-62-4

分子式:C6H6ClN

分子量: 127.57

InChI:InChI=1S/C6H6ClN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3

InChIKey: MZVSTDHRRYQFGI-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS2006-02930WA      
2-chloro-4-methylpyridine
C6H6ClN             (Mass of molecular ion:    127)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      26.0       1.2
      27.0       1.6
      37.0       2.8
      38.0       4.6
      39.0      13.6
      40.0       1.8
      41.0       1.5
      49.0       1.2
      50.0       5.0
      51.0       4.8
      52.0       3.1
      61.0       2.0
      62.0       3.0
      63.0       7.0
      64.0       5.8
      65.0      37.4
      66.0       5.5
      73.0       2.7
      75.0       1.6
      76.0       1.6
      85.0       1.2
      87.0       1.3
      90.0       2.0
      91.0       4.9
      92.0      91.2
      93.0       6.3
      99.0       2.1
     126.0       1.0
     127.0     100.0
     128.0       7.2
     129.0      32.0
     130.0       2.2

parameter in CDCl3

in CDCl3

¹H NMR	300 MHz
C₆ H₆ Cl N	20 % in CDCl₃
2-chloro-4-methylpyridine

    Parameter     ppm  Hz

      D(A)         8.10
      D(B)         6.87
      D(C)         6.92
      D(D)         2.20
       J(A,B)          4.8
       J(A,C)          0.6
       J(A,D)          0.2
       J(B,C)          1.5
       J(B,D)          0.7
       J(C,D)          0.8
     
     BELL,C.L. ET AL. J.HETEROCYCL.CHEM. 2, 420 (1965)
     J(A,D):LESS THAN 0.2HZ.

     Hz     ppm     Int.

   2432.53   8.108    183
   2427.69   8.092    193
   2076.73   6.922    173
   2076.07   6.920    212
   2075.35   6.918    191
   2064.47   6.882     94
   2063.75   6.879    114
   2062.98   6.877    106
   2059.57   6.865     94
   2058.97   6.863    112
   2058.20   6.861    102
   2057.48   6.858     78
    660.06   2.200   1000