N-(2-CYANOETHYL)PYRROLE(43036-06-2) Raman

Product NameN-(2-CYANOETHYL)PYRROLE

CAS 43036-06-2

Molecular FormulaC7H8N2

Molecular Weight120.15

InChIInChI=1S/C7H8N2/c8-4-3-7-9-5-1-2-6-9/h1-2,5-6H,3,7H2

InChIKey IYOLJLGYJMJLSU-UHFFFAOYSA-N

SmilesN1(CCC#N)C=CC=C1

Request For Quotation

Mass

MS-NW-8543          
3-(1-pyrrolyl)propionitrile
C7H8N2              (Mass of molecular ion:    120)

   Source Temperature: 260 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      26.0       2.7
      27.0      10.3
      28.0       7.7
      37.0       1.9
      38.0       4.7
      39.0      12.8
      40.0       5.8
      41.0       5.7
      50.0       3.1
      51.0       6.3
      52.0       6.5
      53.0      34.8
      54.0       4.5
      64.0       1.4
      65.0       3.5
      66.0       3.4
      67.0       7.4
      78.0       7.7
      79.0       2.1
      80.0     100.0
      81.0       6.0
      92.0       6.5
      93.0       1.5
     119.0       2.1
     120.0      51.0
     121.0       4.5

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₈ N₂	0.05 ml : 0.5 ml CDCl₃
3-(1-pyrrolyl)propionitrile

    Assign.     Shift(ppm)

      A             6.661
      B             6.161
      C             4.073
      D             2.648
     
     J(A,B)=2.1HZ

     Hz     ppm     Int.

    602.25   6.725     47
    598.69   6.685    557
    596.63   6.662    944
    594.50   6.639    645
    590.88   6.598     58
    589.06   6.578     40
    587.63   6.562     31
    587.13   6.556     30
    558.50   6.237     37
    558.00   6.231     40
    553.81   6.184    722
    551.69   6.161   1000
    549.56   6.137    618
    545.75   6.094     58
    542.88   6.062     33
    542.19   6.054     31
    371.44   4.148    366
    369.31   4.124     77
    368.69   4.117     74
    364.81   4.074    781
    358.19   4.000    445
    246.06   2.748     40
    243.44   2.719    484
    240.56   2.687     72
    239.81   2.678     75
    239.50   2.675     76
    236.88   2.645    883
    230.19   2.571    406
    226.13   2.525     30
    225.38   2.517     30

in CDCl3