616-45-5

2-Pyrrolidinone(616-45-5) IR2

Product Name2-Pyrrolidinone

CAS 616-45-5

Molecular FormulaC4H7NO

Molecular Weight85.1

InChIInChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)

InChIKey HNJBEVLQSNELDL-UHFFFAOYSA-N

SmilesN1CCCC1=O

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2-Pyrrolidinone(616-45-5) IR2
Mass

MS-NW-4213          
2-pyrrolidone
C4H7NO              (Mass of molecular ion:     85)

   Source Temperature: 230 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      14.0       1.5
      15.0       3.0
      18.0       1.4
      26.0       6.6
      27.0      16.1
      28.0      45.5
      29.0      15.0
      30.0      69.8
      31.0       1.1
      32.0       1.4
      37.0       1.2
      38.0       1.7
      39.0       9.4
      40.0      13.5
      41.0      61.8
      42.0      73.9
      43.0       2.8
      44.0       2.2
      52.0       1.5
      54.0       2.2
      55.0       3.9
      56.0      11.5
      57.0       1.6
      84.0      19.4
      85.0     100.0
      86.0       5.6

400 MHz in CDCl3

2-Pyrrolidinone(616-45-5) IR2

¹H NMR	399.65 MHz
C₄ H₇ N O	0.05 ml : 0.5 ml CDCl₃
2-pyrrolidone

    Assign.     Shift(ppm)

      A             7.71
      B             3.404
      C             2.294
      D             2.117

     Hz     ppm     Int.

   3082.76   7.714     95
   1373.78   3.438     35
   1367.43   3.422    612
   1364.50   3.415    137
   1360.60   3.405    997
   1353.52   3.387    670
    931.15   2.330     36
    925.90   2.317    501
    921.88   2.307    115
    918.33   2.298   1000
    913.70   2.287    132
    909.91   2.277    821
    859.62   2.151    239
    856.45   2.144     90
    852.91   2.135    579
    851.81   2.132    451
    845.46   2.116    647
    837.65   2.096    475
    836.18   2.093    320
    830.32   2.078    137
    829.47   2.076    153

in CDCl3