109-07-9

2-甲基哌嗪(109-07-9)核磁圖(¹HNMR)

產(chǎn)品名稱:2-甲基哌嗪

CAS:109-07-9

分子式:C5H12N2

分子量: 100.16

InChI:InChI=1S/C5H12N2/c1-5-4-6-2-3-7-5/h5-7H,2-4H2,1H3

InChIKey: JOMNTHCQHJPVAZ-UHFFFAOYSA-N

Smiles:N1CCNCC1C

Mass

MS-NW-8909          
2-methylpiperazine
C5H12N2             (Mass of molecular ion:    100)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.7
      18.0       2.7
      27.0       5.1
      28.0      29.8
      29.0      12.4
      30.0      32.8
      31.0       1.8
      39.0       3.9
      40.0       1.7
      41.0      11.1
      42.0      36.4
      43.0      26.9
      44.0     100.0
      45.0       3.0
      54.0       4.0
      55.0       2.1
      56.0      44.8
      57.0      48.3
      58.0      29.4
      59.0       3.4
      68.0       2.3
      69.0       2.3
      70.0       9.4
      71.0       8.8
      83.0       2.8
      84.0       3.0
      85.0      71.5
      86.0       3.8
      99.0       5.8
     100.0      15.2
     101.0       4.9

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₅ H₁₂ N₂	0.050 g : 0.5 ml CDCl₃
2-methylpiperazine

    Assign.     Shift(ppm)

      A          3.07 to 2.49
      B             2.35
      C             1.92
      D             0.999

     Hz     ppm     Int.

    269.06   3.005     54
    267.50   2.987     67
    265.56   2.966    121
    262.69   2.934    137
    260.94   2.914    133
    260.00   2.904    148
    256.50   2.865    127
    253.69   2.833    534
    252.06   2.815    301
    249.00   2.781     96
    245.25   2.739    176
    242.69   2.710     96
    239.44   2.674     76
    238.69   2.666     79
    237.06   2.647     65
    235.94   2.635     40
    233.25   2.605     39
    231.06   2.580     33
    220.81   2.466     31
    218.56   2.441    107
    217.25   2.426     31
    209.13   2.336    114
    207.38   2.316    133
    198.13   2.213     35
    172.38   1.925   1000
     92.50   1.033    786
     89.06   0.995     39
     86.38   0.965    762

¹H NMR	399.65 MHz
C₅ H₁₂ N₂	0.046 g : 0.5 ml CDCl₃
2-methylpiperazine

    Assign.     Shift(ppm)

      A     *1      2.95
      B             2.90
      C     *1      2.89
      D     *2      2.823
      E             2.743
      F     *2      2.707
      G             2.346
      J             1.96
      K             1.001

     Hz     ppm     Int.

   1187.74   2.972     72
   1186.04   2.968     93
   1185.55   2.967     96
   1185.06   2.966     93
   1183.11   2.961     84
   1176.39   2.944    115
   1174.80   2.940    136
   1173.34   2.936    119
   1171.51   2.932    129
   1167.24   2.921    109
   1163.94   2.913    131
   1162.35   2.909     87
   1161.01   2.906     93
   1159.79   2.903     89
   1157.84   2.898     81
   1156.13   2.893    109
   1155.27   2.891    111
   1152.22   2.884    155
   1149.41   2.877    103
   1147.83   2.873    106
   1140.75   2.855    158
   1137.94   2.848     64
   1129.88   2.828    188
   1127.08   2.821    167
   1118.16   2.798    123
   1115.48   2.792    115
   1113.77   2.787     33
   1107.30   2.771     71
   1104.37   2.764     73
   1100.95   2.755     94
   1097.53   2.747    103
   1094.48   2.739     99
   1090.94   2.730    203
   1087.65   2.722    160
   1084.59   2.714     36
   1081.67   2.707     41
   1079.35   2.701    140
   1076.29   2.694    123
   1068.12   2.673     65
   1065.31   2.666     52
    947.88   2.372    184
    937.87   2.347    171
    935.91   2.342    171
    925.90   2.317    138
    783.20   1.960    229
    403.20   1.009   1000
    396.85   0.993    954

in CDCl3