Ethylene Glycol Bis(propionitrile) Ether(3386-87-6) ¹³C NMR

Product NameEthylene Glycol Bis(propionitrile) Ether

CAS 3386-87-6

Molecular FormulaC8H12N2O2

Molecular Weight168.19

InChIInChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2

InChIKey VTHRQKSLPFJQHN-UHFFFAOYSA-N

SmilesC(OCCC#N)COCCC#N

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Mass

MS-NW-1107          
3,3'-(ethylenedioxy)dipropionitrile
C8H12N2O2           (Mass of molecular ion:    168)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       2.4
      18.0       1.2
      26.0       3.1
      27.0       8.5
      28.0       7.6
      29.0       4.5
      31.0      14.2
      40.0       1.4
      41.0       2.8
      42.0       1.7
      43.0       3.7
      44.0       2.7
      45.0      18.9
      52.0       3.0
      53.0       2.1
      54.0     100.0
      55.0       7.1
      57.0       1.4
      68.0       2.8
      70.0       1.5
      72.0       1.8
      84.0      41.4
      85.0       3.6
      97.0      11.8
      98.0      14.6
      99.0       3.6
     128.0       1.4
     138.0       1.6
     141.0       6.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₂ N₂ O₂	0.04 ml : 0.5 ml CDCl₃
3,3'-(ethylenedioxy)dipropionitrile

    Assign.     Shift(ppm)

      A             3.73
      B             3.687
      C             2.639

     Hz     ppm     Int.

    340.94   3.807    154
    334.44   3.735    351
    332.38   3.712     31
    330.19   3.687   1000
    328.44   3.668    231
    242.19   2.705    198
    236.06   2.636    369
    229.81   2.566    149

in CDCl3