1-Benzyl-2-pyrrolidinone(5291-77-0) IR1

Product Name1-Benzyl-2-pyrrolidinone

CAS 5291-77-0

Molecular FormulaC11H13NO

Molecular Weight175.23

InChIInChI=1S/C11H13NO/c13-11-7-4-8-12(11)9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2

InChIKey LVUQCTGSDJLWCE-UHFFFAOYSA-N

SmilesN1(CC2=CC=CC=C2)CCCC1=O

Request For Quotation

Mass

MS-NW-9718          
1-benzyl-2-pyrrolidinone
C11H13NO            (Mass of molecular ion:    175)

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

      27.0       1.7
      28.0       3.2
      39.0       7.1
      41.0      10.9
      42.0       4.1
      43.0       4.4
      50.0       1.4
      51.0       4.4
      52.0       1.2
      55.0       1.5
      56.0       1.1
      58.5       1.4
      63.0       3.6
      64.0       1.0
      65.0      18.7
      66.0       1.1
      68.0       1.6
      69.0       5.7
      70.0       4.4
      71.0       6.1
      77.0       4.4
      78.0       2.5
      79.0       1.2
      84.0      34.3
      85.0       1.7
      87.5       1.0
      89.0       4.6
      90.0       2.2
      91.0      82.5
      92.0      21.9
      93.0       1.7
      98.0       6.1
     104.0      32.1
     105.0       7.0
     106.0       6.5
     117.0       2.7
     118.0      15.1
     119.0       3.9
     120.0       1.5
     130.0       1.2
     131.0       6.4
     132.0       4.3
     146.0      45.0
     147.0       6.4
     174.0      16.7
     175.0     100.0
     176.0      13.8
     177.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₁ H₁₃ N O	0.05 ml : 0.5 ml CDCl₃
1-benzyl-2-pyrrolidinone

    Assign.     Shift(ppm)

      A          7.35 to 7.15
      B             4.433
      C             3.235
      D             2.403
      E             1.97

     Hz     ppm     Int.

    659.69   7.366     44
    657.25   7.339     99
    653.50   7.297    278
    651.13   7.271   1000
    646.13   7.215    129
    645.31   7.206    130
    642.50   7.174     66
    641.31   7.161     70
    637.00   7.113     30
    397.06   4.434    670
    296.88   3.315    183
    290.13   3.240    302
    287.81   3.214     55
    287.69   3.213     55
    287.25   3.208     55
    286.75   3.202     54
    285.38   3.187     63
    282.94   3.160    204
    225.25   2.516     72
    223.63   2.497     82
    223.50   2.496     82
    216.56   2.419    205
    213.19   2.381     43
    208.44   2.328    183
    190.44   2.127     55
    188.19   2.102     65
    185.13   2.068     40
    182.63   2.040    117
    181.63   2.029    147
    179.31   2.003     69
    175.13   1.956    197
    172.38   1.925     93
    170.50   1.904     43
    167.50   1.871     95
    165.81   1.852     48
    165.19   1.845     57

in CDCl3