2591-86-8

N-甲酰基哌啶(2591-86-8)核磁图(¹³CNMR)

产品名称:N-甲酰基哌啶

CAS:2591-86-8

分子式:C6H11NO

分子量: 113.16

InChI:InChI=1S/C6H11NO/c8-6-7-4-2-1-3-5-7/h6H,1-5H2

InChIKey: FEWLNYSYJNLUOO-UHFFFAOYSA-N

Smiles:N1(C=O)CCCCC1

Mass

MS-NW-8315          
N-formylpiperidine
C6H11NO             (Mass of molecular ion:    113)

   Source Temperature: 240 °C
   Sample Temperature: 130 °C
   Reservoir, 75 eV

      15.0       5.0
      18.0       2.9
      26.0       2.8
      27.0      18.8
      28.0      42.5
      29.0      43.9
      30.0      24.5
      39.0      14.7
      40.0       2.8
      41.0      28.3
      42.0      49.1
      43.0      23.3
      44.0      23.3
      45.0       1.5
      46.0       3.5
      51.0       1.4
      52.0       1.2
      53.0       4.1
      54.0       7.4
      55.0      17.7
      56.0      65.2
      57.0      25.8
      58.0       8.5
      59.0       5.9
      67.0       5.5
      68.0       7.0
      69.0       5.6
      70.0      19.7
      71.0      13.7
      72.0      18.6
      80.0       1.3
      82.0       2.6
      84.0      52.6
      85.0      12.2
      96.0       5.7
      98.0      35.0
      99.0       2.1
     112.0      32.7
     113.0     100.0
     114.0      10.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₁ N O	0.04 ml : 0.5 ml CDCl₃
N-formylpiperidine

    Assign.     Shift(ppm)

      A             8.008
      B             3.483
      C             3.318
      D             1.693
      E             1.59
      F             1.55
     
     ASSIGNED BY H-H COSY AND C-H COSY

     Hz     ppm     Int.

   3210.57   8.034     37
   3209.96   8.032     36
   3200.68   8.009    945
   1408.33   3.524     41
   1397.83   3.498    846
   1392.09   3.484    909
   1386.47   3.470    796
   1342.41   3.359     43
   1340.94   3.356     36
   1331.67   3.333   1000
   1326.05   3.319    969
   1320.56   3.305    885
   1316.41   3.294     32
    693.12   1.735     40
    689.45   1.726    152
    687.99   1.722    183
    684.81   1.714    275
    683.84   1.712    335
    682.50   1.708    344
    680.30   1.703    387
    677.12   1.695    714
    673.10   1.685    446
    671.63   1.681    582
    668.70   1.674    317
    666.02   1.667    290
    663.57   1.661     91
    659.18   1.650     42
    656.01   1.642     43
    646.97   1.619    139
    645.26   1.615    350
    643.80   1.611    166
    641.85   1.607    353
    639.77   1.601    565
    638.06   1.597    467
    634.16   1.587    816
    631.84   1.581    343
    630.25   1.578    331
    627.93   1.572    620
    622.31   1.558    618
    616.33   1.543    770
    610.60   1.528    367
    604.86   1.514    193

in CDCl3