626-58-4

4-甲基六氫吡啶(626-58-4)Raman光譜

產(chǎn)品名稱:4-甲基六氫吡啶

CAS:626-58-4

分子式:C6H13N

分子量: 99.17

InChI:InChI=1S/C6H13N/c1-6-2-4-7-5-3-6/h6-7H,2-5H2,1H3

InChIKey: UZOFELREXGAFOI-UHFFFAOYSA-N

Smiles:N1CCC(C)CC1

Mass

MS-NW-0649          
4-methylpiperidine
C6H13N              (Mass of molecular ion:     99)

   Source Temperature: 280 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       3.6
      26.0       1.9
      27.0      15.2
      28.0      27.5
      29.0      26.6
      30.0      53.3
      38.0       1.4
      39.0      13.1
      40.0       3.2
      41.0      22.3
      42.0      37.8
      43.0      32.9
      44.0      54.9
      45.0       1.7
      50.0       1.1
      51.0       2.0
      52.0       1.2
      53.0       4.4
      54.0       3.5
      55.0      25.0
      56.0      74.4
      57.0      54.0
      58.0       2.8
      65.0       1.3
      66.0       1.8
      67.0       2.9
      68.0       3.3
      69.0       4.0
      70.0       8.5
      71.0       5.3
      80.0       1.6
      81.0       1.1
      82.0       4.5
      84.0      26.5
      85.0       2.0
      92.0       1.1
      93.0       4.8
      96.0       1.4
      97.0       2.7
      98.0     100.0
      99.0      61.5
     100.0       4.3
     112.0       1.8
     127.0       1.8

400 MHz in CDCl3

90 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₃ N	0.05 ml : 0.5 ml CDCl₃
4-methylpiperidine

    Assign.     Shift(ppm)

      A             3.026
      B             2.569
      C             1.84
      D             1.608
      E             1.451
      F             1.077
      G             0.911
     
     J(B,D)=2.6HZ. J(A,B)=J(B,F)=12.2HZ.

     Hz     ppm     Int.

   1219.36   3.052     98
   1218.51   3.049    103
   1215.58   3.042    162
   1213.13   3.036    103
   1212.40   3.034    105
   1206.91   3.020    112
   1206.30   3.019    114
   1203.74   3.012    172
   1200.81   3.005    104
   1199.71   3.002    104
   1039.79   2.602    159
   1037.11   2.596    160
   1027.59   2.572    261
   1024.90   2.565    262
   1015.26   2.541    135
   1012.70   2.534    135
    734.74   1.839     63
    654.54   1.638     43
    651.49   1.631    105
    649.90   1.627    125
    648.68   1.624    121
    647.83   1.621    123
    643.92   1.612     54
    641.97   1.607     52
    639.16   1.600    104
    638.06   1.597    126
    637.21   1.595    133
    636.11   1.592    136
    635.50   1.591    134
    634.40   1.588    129
    587.40   1.470     45
    583.62   1.461     64
    580.57   1.453     48
    577.03   1.444     67
    572.39   1.433     47
    570.43   1.428     33
    569.46   1.425     32
    565.67   1.416     39
    449.95   1.126     72
    445.92   1.116     71
    437.99   1.096    125
    437.01   1.094    121
    433.72   1.086    135
    425.42   1.065    118
    422.36   1.057    103
    421.26   1.055    111
    413.33   1.035     49
    409.30   1.025     53
    367.43   0.920   1000
    364.62   0.913     67
    360.84   0.903    929
    356.93   0.894     30

¹H NMR	89.56 MHz
C₆ H₁₃ N	0.04 ml : 0.5 ml CDCl₃
4-methylpiperidine

    Assign.     Shift(ppm)

      A             0.92
      B             1.08
      C             1.45
      D             1.61
      E             2.57
      F             2.67
      G             3.02

     Hz     ppm     Int.

    278.56   3.111     99
    266.56   2.977    175
    239.38   2.673    393
    230.75   2.577    215
    222.31   2.483     40
    221.88   2.478     40
    218.81   2.444    103
    150.19   1.677    121
    139.81   1.562    229
    113.25   1.265    127
    102.06   1.140    157
     94.13   1.052     68
     93.69   1.047     71
     90.38   1.010    132
     86.25   0.964    182
     84.38   0.943   1000
     78.75   0.880    620
     71.38   0.798     56
     68.13   0.761     33
     68.00   0.760     33
     67.38   0.753     30

in CDCl3