110-89-4

六氫吡啶(110-89-4)ESR圖譜

產(chǎn)品名稱:六氫吡啶

CAS:110-89-4

分子式:C5H11N

分子量: 85.15

InChI:InChI=1S/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2

InChIKey: NQRYJNQNLNOLGT-UHFFFAOYSA-N

Smiles:N1CCCCC1

Mass

MS-NW-0539          
piperidine
C5H11N              (Mass of molecular ion:     85)

   Source Temperature: 280 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      15.0       3.2
      18.0       2.5
      26.0       2.4
      27.0      11.9
      28.0      29.1
      29.0      30.9
      30.0      27.7
      39.0       7.9
      40.0       1.5
      41.0      12.0
      42.0      25.6
      43.0      22.6
      44.0      33.5
      51.0       1.3
      52.0       1.4
      53.0       2.2
      54.0       3.3
      55.0      10.4
      56.0      44.8
      57.0      44.9
      58.0       1.8
      67.0       1.7
      68.0       1.6
      70.0      12.2
      82.0       2.0
      83.0       1.1
      84.0     100.0
      85.0      53.0
      86.0       3.0

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₁ N	0.05 ml : 0.5 ml CDCl₃
piperidine

    Assign.     Shift(ppm)

      A             2.79
      B             2.04
      C          1.58 to 1.46

     Hz     ppm     Int.

    262.56   2.932     23
    261.44   2.920     28
    254.81   2.846    308
    249.75   2.789    532
    182.44   2.038    547
    174.44   1.948     24
    155.19   1.733     23
    154.63   1.727     23
    152.06   1.698     24
    151.63   1.694     25
    150.50   1.681     30
    149.25   1.667     32
    140.19   1.566    650
    138.50   1.547    811
    136.75   1.527   1000
    130.44   1.457    214
    122.69   1.370     35
    122.19   1.365     33

¹H NMR	399.65 MHz
C₅ H₁₁ N	0.05 ml : 0.5 ml CDCl₃
piperidine

    Assign.     Shift(ppm)

      A             2.788
      B             2.18
      C             1.53

     Hz     ppm     Int.

   1119.63   2.802    846
   1114.01   2.788   1000
   1109.38   2.776    824
    872.56   2.184    242
    635.13   1.590     81
    632.08   1.582    128
    629.52   1.576    164
    621.95   1.557    347
    620.48   1.553    392
    613.89   1.537    985
    610.47   1.528    890
    604.74   1.514    826
    600.10   1.502    520
    594.60   1.488    233

in CDCl3