2,2'-Dichlorodiethyl ether(111-44-4) MS

Product Name2,2'-Dichlorodiethyl ether

CAS 111-44-4

Molecular FormulaC4H8Cl2O

Molecular Weight143.01

InChIInChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2

InChIKey ZNSMNVMLTJELDZ-UHFFFAOYSA-N

SmilesO(CCCl)CCCl

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Mass

MS-NW-0845          
bis(2-chloroethyl) ether
C4H8Cl2O            (Mass of molecular ion:    142)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       1.0
      15.0       1.9
      26.0       3.3
      27.0      47.3
      28.0      35.5
      29.0       4.6
      31.0       9.8
      32.0       8.2
      36.0       1.1
      42.0       1.0
      43.0       3.1
      44.0       1.0
      45.0       2.4
      49.0       4.6
      51.0       1.5
      61.0       1.0
      62.0       2.2
      63.0      73.2
      64.0       2.2
      65.0      23.6
      93.0     100.0
      94.0       3.3
      95.0      31.8
      96.0       1.1
     106.0       1.5
     142.0       1.7
     144.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₄ H₈ Cl₂ O	0.05 ml : 0.5 ml CDCl₃
bis(2-chloroethyl) ether

    Assign.     Shift(ppm)

      A     *1      3.77
      B     *1      3.66

     Hz     ppm     Int.

    356.06   3.976     30
    355.44   3.969     31
    353.31   3.945     39
    352.94   3.941     40
    352.44   3.936     43
    351.81   3.929     45
    350.75   3.917     52
    344.13   3.843    271
    339.06   3.786    805
    335.00   3.741    993
    330.88   3.695   1000
    326.88   3.650    851
    321.88   3.595    301
    310.94   3.472     41
    310.06   3.463     36
    309.44   3.456     36
    308.88   3.449     36
    308.56   3.446     34

in CDCl3