1-(2-Chloroethyl)pyrrolidine Hydrochloride(7250-67-1) ¹³C NMR

Product Name1-(2-Chloroethyl)pyrrolidine Hydrochloride

CAS 7250-67-1

Molecular FormulaC6H13Cl2N

Molecular Weight170.08

InChIInChI=1S/C6H12ClN.ClH/c7-3-6-8-4-1-2-5-8;/h1-6H2;1H

InChIKey FSNGFFWICFYWQC-UHFFFAOYSA-N

SmilesN1(CCCl)CCCC1.[H]Cl

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1-(2-Chloroethyl)pyrrolidine Hydrochloride(7250-67-1) <sup>13</sup>C NMR
Mass

MS-NW-7034          
N-(2-chloroethyl)pyrrolidine hydrochloride
C6H12ClN HCl        (Mass of molecular ion:    133)

   Source Temperature: 180 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       3.5
      26.0       1.4
      27.0      10.8
      28.0       7.8
      29.0       3.0
      30.0       4.3
      35.0       3.1
      36.0      20.1
      37.0       1.0
      38.0       6.9
      39.0       4.4
      40.0       1.1
      41.0       8.0
      42.0      27.3
      43.0       9.9
      54.0       2.2
      55.0      11.1
      56.0       6.0
      63.0       3.4
      65.0       1.1
      68.0       1.1
      69.0       1.0
      70.0       3.0
      82.0       1.1
      84.0     100.0
      85.0       5.7
      90.0       1.2
      96.0       1.3
      98.0       1.6
     132.0       3.4
     133.0       4.9
     134.0       1.5
     135.0       1.6

400 MHz in CDCl3

1-(2-Chloroethyl)pyrrolidine Hydrochloride(7250-67-1) <sup>13</sup>C NMR

¹H NMR	399.65 MHz
C₆ H₁₂ Cl N	0.036 g : 0.5 ml CDCl₃
N-(2-chloroethyl)pyrrolidine hydrochloride

    Assign.     Shift(ppm)

      A            12.3
      B             4.060
      C     *1      3.83
      D             3.59
      E     *1      3.12
      F             2.177
     
     ASSIGNED BY C-H COSY.

     Hz     ppm     Int.

   4903.37  12.270     39
   1629.27   4.077    453
   1622.67   4.061   1000
   1616.08   4.044    513
   1545.01   3.866     37
   1533.29   3.837    114
   1532.55   3.835    114
   1528.89   3.826    124
   1528.34   3.825    124
   1527.97   3.824    124
   1525.04   3.816    112
   1441.89   3.608    108
   1436.03   3.594    206
   1432.18   3.584    201
   1426.32   3.569     93
   1244.98   3.116    115
   1244.62   3.115    115
    872.06   2.183    359
    868.39   2.173    336
    857.22   2.145     66

in CDCl3