Methylenaminoacetonitrile(109-82-0) IR1

Product NameMethylenaminoacetonitrile

CAS 109-82-0

Molecular FormulaC3H4N2

Molecular Weight68.08

InChIInChI=1S/C3H4N2/c1-5-3-2-4/h1,3H2

InChIKey GFZMFCVDDFHSJK-UHFFFAOYSA-N

SmilesC(#N)CN=C

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¹HNMR

IR1

IR2

Mass

MS-IW-8830          
(methyleneamino)acetonitrile
C3H4N2              (Mass of molecular ion:     68)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      14.0       2.6
      15.0       3.3
      26.0       2.1
      27.0       8.2
      28.0      20.6
      32.0       2.0
      33.0       1.6
      33.5       2.7
      38.0       8.0
      39.0      11.6
      40.0      60.6
      41.0      61.3
      42.0      12.0
      53.0       1.4
      66.0       6.0
      67.0     100.0
      68.0      31.6
      69.0       2.5

400 MHz in DMSO-d6

¹H NMR	399.65 MHz
C₃ H₄ N₂	0.040 g : 0.5 ml DMSO-d₆
(methyleneamino)acetonitrile

    Assign.     Shift(ppm)

      A             3.808
      B             3.54

     Hz     ppm     Int.

   1522.09   3.809   1000
   1413.09   3.536    101

KBr disc

nujol mull

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