6959-47-3

2-氯甲基吡啶鹽酸鹽(6959-47-3)質(zhì)譜(MS)

產(chǎn)品名稱:2-氯甲基吡啶鹽酸鹽

CAS:6959-47-3

分子式:C6H7Cl2N

分子量: 164.03

InChI:InChI=1S/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H

InChIKey: JPMRGPPMXHGKRO-UHFFFAOYSA-N

Smiles:C1(CCl)=NC=CC=C1.[H]Cl

Mass

MS-NW-8693          
2-(chloromethyl)pyridine hydrochloride
C6H6ClN HCl         (Mass of molecular ion:    127)

   Source Temperature: 260 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      17.0       5.7
      18.0      26.5
      26.0       2.0
      27.0       2.1
      28.0       1.6
      35.0       1.8
      36.0      13.2
      37.0       2.5
      38.0       6.8
      39.0      12.1
      40.0       1.4
      41.0       1.8
      45.5       1.1
      49.0       1.7
      50.0       5.1
      51.0      11.2
      52.0       6.0
      53.0       2.7
      61.0       1.4
      62.0       2.4
      63.0       6.5
      64.0       8.3
      65.0      35.1
      66.0       4.0
      73.0       1.4
      75.0       1.0
      78.0      20.0
      79.0       4.0
      80.0       4.3
      90.0       1.0
      91.0       6.9
      92.0      58.2
      93.0       6.8
      99.0       1.4
     100.0       1.6
     108.0       8.4
     109.0       4.3
     126.0       1.0
     127.0     100.0
     128.0       7.6
     129.0      32.7
     130.0       2.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₆ Cl N	0.050 g : 0.5 ml CDCl₃
2-(chloromethyl)pyridine hydrochloride

    Assign.     Shift(ppm)

      A             8.821
      B             8.525
      C             8.152
      D             7.994
      E             5.245

     Hz     ppm     Int.

    794.38   8.870     83
    793.63   8.862     97
    792.69   8.851    112
    792.06   8.844    106
    788.69   8.807     98
    788.00   8.799    110
    787.00   8.788    127
    786.25   8.780    116
    773.50   8.637     57
    771.94   8.620     55
    765.50   8.548    124
    764.00   8.531    119
    757.88   8.463    116
    756.13   8.443    107
    733.13   8.186    162
    725.63   8.103    102
    725.00   8.096    100
    722.31   8.066     95
    720.94   8.050     79
    716.63   8.002     79
    715.00   7.984    104
    713.31   7.965     65
    708.88   7.916     55
    707.75   7.903     52
    469.75   5.246   1000

in CDCl3