2-OXO-1-PYRROLIDINEACETIC ACID METHYL ESTER(59776-88-4) ¹³C NMR

Product Name2-OXO-1-PYRROLIDINEACETIC ACID METHYL ESTER

CAS 59776-88-4

Molecular FormulaC7H11NO3

Molecular Weight157.17

InChIInChI=1S/C7H11NO3/c1-11-7(10)5-8-4-2-3-6(8)9/h2-5H2,1H3

InChIKey HPDZYDTXCOFUOY-UHFFFAOYSA-N

SmilesN1(CC(OC)=O)CCCC1=O

Request For Quotation

Mass

MS-NW-9470          
methyl (2-oxo-1-pyrrolidinyl)acetate
C7H11NO3            (Mass of molecular ion:    157)

   Source Temperature: 240 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       4.4
      27.0       2.9
      28.0      10.2
      29.0       1.2
      30.0       1.9
      39.0       4.1
      40.0       1.4
      41.0      20.1
      42.0      13.9
      43.0       9.8
      45.0       1.2
      54.0       1.0
      55.0       2.1
      56.0       2.4
      59.0       1.0
      68.0       6.1
      69.0      17.2
      70.0      43.2
      71.0       2.4
      74.0       1.3
      84.0      25.3
      85.0       1.5
      96.0       1.3
      97.0       1.3
      98.0     100.0
      99.0       6.3
     126.0       2.8
     129.0       1.7
     157.0      25.9
     158.0       2.4

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₇ H₁₁ N O₃	0.05 ml : 0.5 ml CDCl₃
methyl (2-oxo-1-pyrrolidinyl)acetate

    Assign.     Shift(ppm)

      A             4.070
      B             3.736
      C             3.501
      D             2.411
      E             2.097

     Hz     ppm     Int.

   1626.83   4.071    612
   1493.04   3.736   1000
   1406.62   3.520    242
   1403.32   3.512     31
   1399.54   3.502    325
   1395.87   3.493     35
   1392.46   3.485    265
    972.29   2.433    162
    964.23   2.413    279
    955.93   2.392    215
    852.66   2.134     65
    845.58   2.116    158
    844.48   2.114    126
    842.29   2.108     32
    838.01   2.097    184
    833.74   2.087     32
    830.32   2.078    148
    829.10   2.075     90
    822.27   2.058     51

in CDCl3