6837-24-7

N-環(huán)己基吡咯烷酮(6837-24-7)核磁圖(¹³CNMR)

產(chǎn)品名稱:N-環(huán)己基吡咯烷酮

CAS:6837-24-7

分子式:C10H17NO

分子量: 167.25

InChI:InChI=1S/C10H17NO/c12-10-7-4-8-11(10)9-5-2-1-3-6-9/h9H,1-8H2

InChIKey: PZYDAVFRVJXFHS-UHFFFAOYSA-N

Smiles:N1(C2CCCCC2)CCCC1=O

Mass

MS-NW-7074          
1-cyclohexyl-2-pyrrolidone
C10H17NO            (Mass of molecular ion:    167)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      18.0       1.3
      27.0       6.1
      28.0       8.0
      29.0       4.3
      30.0       2.9
      39.0       7.1
      40.0       1.6
      41.0      22.0
      42.0       4.9
      43.0       2.7
      44.0       1.6
      53.0       2.8
      54.0       5.2
      55.0      10.3
      56.0      14.5
      57.0       1.0
      67.0       6.8
      68.0       4.0
      69.0       8.3
      70.0       4.6
      79.0       1.8
      80.0       1.0
      81.0       4.6
      82.0       5.6
      83.0       5.1
      84.0       3.8
      85.0       1.2
      86.0     100.0
      87.0       5.1
      96.0       7.0
      97.0       2.7
      98.0       7.3
      99.0       2.8
     110.0       1.9
     111.0       3.5
     112.0       3.4
     124.0      60.2
     125.0       6.5
     126.0       1.9
     138.0       6.1
     139.0       1.5
     167.0      26.1
     168.0       3.5

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₀ H₁₇ N O	0.05 ml : 0.5 ml CDCl₃
1-cyclohexyl-2-pyrrolidone

    Assign.     Shift(ppm)

      A             3.935
      B             3.352
      C             2.376
      D             1.997
      E     *1      1.79
      F     *1      1.68
      G             1.34
      J     *1      1.11
     
     ASSIGNED BY H-H COSY

     Hz     ppm     Int.

   1588.62   3.976     44
   1584.84   3.966     76
   1580.93   3.956     77
   1576.90   3.946    117
   1575.32   3.942    104
   1573.12   3.937    147
   1569.34   3.927    111
   1565.55   3.918     83
   1561.65   3.908     75
   1557.86   3.899     36
   1346.92   3.371    661
   1343.38   3.362    119
   1339.97   3.353    933
   1336.67   3.345    107
   1335.45   3.342     83
   1332.89   3.336    678
    958.25   2.398    593
    953.98   2.388     93
    950.44   2.379   1000
    945.80   2.367     88
    942.02   2.358    739
    811.52   2.031    199
    808.11   2.023     60
    804.32   2.013    452
    803.22   2.010    363
    800.90   2.005    106
    796.63   1.994    522
    792.72   1.984     99
    789.06   1.975    418
    784.79   1.964     46
    781.25   1.955    152
    722.78   1.809    189
    721.56   1.806    192
    718.75   1.799    273
    716.55   1.793    248
    713.38   1.786    306
    711.30   1.780    282
    701.90   1.757     47
    699.71   1.751     54
    693.97   1.737     35
    692.87   1.734     34
    692.14   1.732     35
    690.92   1.729     36
    690.55   1.728     35
    690.06   1.727     35
    689.58   1.726     35
    689.09   1.725     34
    677.86   1.697    339
    674.32   1.688    413
    672.36   1.683    450
    667.72   1.671    225
    575.20   1.440     45
    569.58   1.426     76
    561.16   1.405    201
    558.72   1.399    375
    554.44   1.388    257
    553.34   1.385    238
    549.44   1.375    728
    546.51   1.368    513
    540.65   1.353    284
    537.96   1.347    411
    527.71   1.321     75
    525.02   1.314     86
    459.47   1.150     55
    455.69   1.141     56
    455.20   1.139     55
    454.22   1.137     51
    453.00   1.134     49
    450.32   1.127     78
    446.29   1.117    108
    442.75   1.108     99
    440.80   1.103     82
    437.13   1.094     85
    433.59   1.085     99
    429.93   1.076     72
    426.64   1.068     35
    424.56   1.063     36
    422.73   1.058     30
    421.02   1.054     34

in CDCl3