872-50-4

N-甲基吡咯烷酮(872-50-4)核磁圖(¹³CNMR)

產(chǎn)品名稱:N-甲基吡咯烷酮

CAS:872-50-4

分子式:C5H9NO

分子量: 99.13

InChI:InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3

InChIKey: SECXISVLQFMRJM-UHFFFAOYSA-N

Smiles:N1(C)CCCC1=O

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-9653          
1-methyl-2-pyrrolidinone
C5H9NO              (Mass of molecular ion:     99)

   Source Temperature: 230 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       8.2
      18.0       3.4
      26.0       2.8
      27.0       9.6
      28.0      22.7
      29.0       2.6
      30.0       6.8
      38.0       1.7
      39.0      10.4
      40.0       7.2
      41.0      47.5
      42.0      67.7
      43.0      21.1
      44.0     100.0
      45.0       2.6
      54.0       1.9
      55.0       3.7
      56.0       8.8
      57.0       1.7
      58.0       5.9
      68.0       3.8
      69.0       4.4
      70.0      10.9
      71.0      13.4
      98.0      70.3
      99.0      96.8
     100.0       7.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₅ H₉ N O	0.05 ml : 0.5 ml CDCl₃
1-methyl-2-pyrrolidinone

    Assign.     Shift(ppm)

      A             3.412
      B             2.846
      C             2.364
      D             2.043

     Hz     ppm     Int.

   1370.97   3.431    325
   1367.31   3.422     58
   1363.89   3.413    398
   1360.47   3.405     52
   1359.01   3.401     36
   1356.69   3.395    324
   1138.55   2.849    831
   1137.82   2.848   1000
   1136.96   2.845    731
    953.13   2.385    172
    950.20   2.378     34
    949.22   2.376     41
    945.19   2.366    294
    941.28   2.356     37
    940.31   2.353     38
    936.89   2.345    206
    830.69   2.079     95
    827.51   2.071     35
    823.61   2.061    219
    822.39   2.058    172
    819.95   2.052     55
    816.28   2.043    219
    815.92   2.042    217
    815.06   2.040    191
    811.77   2.032     50
    809.33   2.026     87
    808.11   2.023    195
    806.88   2.019    109
    800.54   2.004     68
    800.17   2.003     68

in CDCl3