1-(2-Chloroethyl)pyrrolidine Hydrochloride(7250-67-1) IR1
Product Name1-(2-Chloroethyl)pyrrolidine Hydrochloride
CAS7250-67-1
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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MassMS-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
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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
KBr disc
nujol mull
