4-(2-Chloroethyl)morpholine hydrochloride(3647-69-6) MS

Product Name4-(2-Chloroethyl)morpholine hydrochloride

CAS 3647-69-6

Molecular FormulaC6H13Cl2NO

Molecular Weight186.08

InChIInChI=1S/C6H12ClNO.ClH/c7-1-2-8-3-5-9-6-4-8;/h1-6H2;1H

InChIKey NBJHDLKSWUDGJG-UHFFFAOYSA-N

SmilesC1OCCN(CCCl)C1.[H]Cl

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Mass

MS-NW-8022          
N-(2-chloroethyl)morpholine hydrochloride
C6H12ClNO HCl       (Mass of molecular ion:    149)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       4.8
      26.0       1.7
      27.0      12.4
      28.0      13.1
      29.0       4.7
      30.0       3.6
      35.0       3.4
      36.0      31.9
      37.0       1.1
      38.0      10.2
      41.0       4.0
      42.0      72.1
      43.0       2.6
      44.0       1.1
      45.0       1.0
      54.0       2.6
      55.0       2.5
      56.0      15.6
      57.0       9.3
      63.0       3.0
      65.0       1.0
      70.0       3.7
      84.0       2.9
      91.0       3.7
      93.0       1.2
     100.0     100.0
     101.0       5.8
     149.0       4.7
     151.0       1.5

400 MHz in D2O

¹H NMR	399.65 MHz
C₆ H₁₂ Cl N O	0.046 g : 0.5 ml D₂O
N-(2-chloroethyl)morpholine hydrochloride

    Assign.     Shift(ppm)

      A             4.0
      B             3.983
      C             3.641
      D             3.5

     Hz     ppm     Int.

   1597.90   3.999    817
   1592.29   3.985   1000
   1586.30   3.970    860
   1460.94   3.656    790
   1454.96   3.641    884
   1449.34   3.627    685

KBr disc