3-Picolyl chloride hydrochloride(6959-48-4) ¹H NMR

Product Name3-Picolyl chloride hydrochloride

CAS 6959-48-4

Molecular FormulaC6H7Cl2N

Molecular Weight164.03

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

InChIKey UZGLOGCJCWBBIV-UHFFFAOYSA-N

SmilesC1(CCl)C=NC=CC=1.Cl

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Mass

MS-NW-6857          
3-(chloromethyl)pyridine hydrochloride
C6H6ClN HCl         (Mass of molecular ion:    127)

   Source Temperature: 140 °C
   Sample Temperature: 130 °C
   Direct, 75 eV

      18.0       2.4
      26.0       1.3
      28.0       1.2
      35.0       3.2
      36.0      27.4
      37.0       2.6
      38.0       8.9
      39.0      16.5
      40.0       1.1
      45.5       1.5
      50.0       1.6
      51.0       2.2
      52.0       1.2
      61.0       1.3
      62.0       2.6
      63.0       7.1
      64.0       4.5
      65.0      34.3
      66.0       2.1
      73.0       1.6
      91.0       1.8
      92.0     100.0
      93.0       7.3
      99.0       1.0
     126.0       1.1
     127.0      43.8
     128.0       3.7
     129.0      14.7
     130.0       1.0

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₆ H₆ Cl N	0.038 g : 0.5 ml DMSO-d₆
3-(chloromethyl)pyridine hydrochloride

    Assign.     Shift(ppm)

      A             9.117
      B             8.972
      C             8.716
      D             8.144
      E             5.070

     Hz     ppm     Int.

   3645.02   9.121    218
   3643.92   9.118    223
   3588.50   8.980    146
   3583.01   8.966    149
   3487.67   8.727    136
   3486.21   8.724     97
   3481.08   8.711    101
   3479.61   8.707    146
   3261.72   8.162    127
   3258.79   8.155     21
   3255.98   8.148    134
   3253.66   8.142    131
   3248.05   8.128    117
   2026.25   5.071   1000

in D2O

in DMSO-d6